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Chemistry

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Also known as: Pneumocandin b0, 135575-42-7, Chembl269311, N-[(3s,6s,9s,11r,15s,18s,20r,21r,24s,25s)-3-[(1r)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1s,2s)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1r)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide, L-688786, L-688,786
Molecular Formula
C50H80N8O17
Molecular Weight
1065.2  g/mol
InChI Key
DQXPFAADCTZLNL-ZESADUFFSA-N

Hydroxy Echinocandin
1 2D Structure

Hydroxy Echinocandin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide
2.1.2 InChI
InChI=1S/C50H80N8O17/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(66)52-31-22-35(64)46(71)56-48(73)41-33(62)18-19-57(41)50(75)39(34(63)23-36(51)65)54-47(72)40(43(68)42(67)28-14-16-29(60)17-15-28)55-45(70)32-21-30(61)24-58(32)49(74)38(27(4)59)53-44(31)69/h14-17,25-27,30-35,38-43,46,59-64,67-68,71H,5-13,18-24H2,1-4H3,(H2,51,65)(H,52,66)(H,53,69)(H,54,72)(H,55,70)(H,56,73)/t25?,26?,27-,30-,31+,32+,33+,34-,35-,38+,39+,40+,41+,42+,43+,46-/m1/s1
2.1.3 InChI Key
DQXPFAADCTZLNL-ZESADUFFSA-N
2.1.4 Canonical SMILES
CCC(C)CC(C)CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(CCN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(CC(=O)N)O)O)O)O
2.1.5 Isomeric SMILES
CCC(C)CC(C)CCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H](CCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](C4=CC=C(C=C4)O)O)O)[C@@H](CC(=O)N)O)O)O)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. L 688,786

2. L 688786

3. L-688,786

4. L-688786

5. Pneumocandin B(0)

6. Pneumocandin B0

7. Pneumocardin B(0)

2.2.2 Depositor-Supplied Synonyms

1. Pneumocandin B0

2. 135575-42-7

3. Chembl269311

4. N-[(3s,6s,9s,11r,15s,18s,20r,21r,24s,25s)-3-[(1r)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1s,2s)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1r)-1-hydroxyethyl]-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-10,12-dimethyltetradecanamide

5. L-688786

6. L-688,786

7. Hydroxy Echinocandin

8. Schembl8444763

9. Ex-a1768

10. Bdbm50043897

11. Mfcd28168025

12. Ft-0697597

13. 575p427

14. J-006720

15. J-523985

16. (2r,6s,9s,11r,12r,14as,15s,20s,23s,25as)-20-[2-carbamoyl-1(r)-hydroxyethyl]-23-[1(s),2(s)-dihydroxy-2-(4-hydroxyphenyl)ethyl]-9-(10,12-dimethyltetradecanamido)-2,11,12,15-tetrahydroxy-6-[1(r)-hydroxyethyl]perhydrodipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacycloheneicosine-5,8,14,19,22,25-hexaone

17. (3s)-(4r,5r)-n2-[(10r,12s)-10,12-dimethyl-1-oxotetradecyl]- 4,5-dihydroxy-l-ornithyl-l-threonyl-(4r)-4-hydroxy-l-prolyl-(4s)-4-hydroxy-4-(4-hydroxyphenyl)-l-threonyl-(3r)-3-hydroxy-l-glutaminyl-3-hydroxy-l-proline (6->1)-lactam

18. 10,12-dimethyl-tetradecanoic Acid [3-(2-carbamoyl-1-hydroxy-ethyl)-6-[1,2-dihydroxy-2-(4-hydroxy-phenyl)-ethyl]-11,20,21,25-tetrahydroxy-15-(1-hydroxy-ethyl)-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexaaza-tricyclo[22.3.0.0*9,13*]heptacos-18-yl]-amide

19. 1n-[20-(2-carbamoyl-1-hydroxyethyl)-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6-(1-hydroxyethyl)-5,8,14,19,22,25-hexaoxoperhydrodipyrrolo[2,1-c:2,1-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl]-10,12-dimethyltetradecanam

20. N-[[(1r)-3-amino-1-hydroxy-3-oxo-propyl]-[(1s,2s)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-tetrahydroxy-[(1r)-1-hydroxyethyl]-hexaoxo-[?]yl]-10,12-dimethyl-tetradecanamide

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 1065.2 g/mol
Molecular Formula C50H80N8O17
XLogP30.5
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count17
Rotatable Bond Count20
Exact Mass1064.56414311 g/mol
Monoisotopic Mass1064.56414311 g/mol
Topological Polar Surface Area411 Ų
Heavy Atom Count75
Formal Charge0
Complexity1930
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Pneumocandin B0 Manufacturers

A Pneumocandin B0 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Pneumocandin B0, including repackagers and relabelers. The FDA regulates Pneumocandin B0 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Pneumocandin B0 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Pneumocandin B0 manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Pneumocandin B0 Suppliers

A Pneumocandin B0 supplier is an individual or a company that provides Pneumocandin B0 active pharmaceutical ingredient (API) or Pneumocandin B0 finished formulations upon request. The Pneumocandin B0 suppliers may include Pneumocandin B0 API manufacturers, exporters, distributors and traders.

click here to find a list of Pneumocandin B0 suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Pneumocandin B0 USDMF

A Pneumocandin B0 DMF (Drug Master File) is a document detailing the whole manufacturing process of Pneumocandin B0 active pharmaceutical ingredient (API) in detail. Different forms of Pneumocandin B0 DMFs exist exist since differing nations have different regulations, such as Pneumocandin B0 USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Pneumocandin B0 DMF submitted to regulatory agencies in the US is known as a USDMF. Pneumocandin B0 USDMF includes data on Pneumocandin B0's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Pneumocandin B0 USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Pneumocandin B0 suppliers with USDMF on PharmaCompass.

Pneumocandin B0 NDC

National Drug Code is a comprehensive database maintained by the FDA that contains information on all drugs marketed in the US. This directory includes information about finished drug products, unfinished drug products, and compounded drug products, including those containing Pneumocandin B0 as an active pharmaceutical ingredient (API).

Finished drug products

The FDA updates the NDC directory daily. The NDC numbers for Pneumocandin B0 API and other APIs are published in this directory by the FDA.

Unfinished drugs

The NDC unfinished drugs database includes product listing information submitted for all unfinished drugs, such as active pharmaceutical ingredients (APIs), drugs intended for further processing and bulk drug substances for compounding.

Pharmaceutical companies that manufacture Pneumocandin B0 as an active pharmaceutical ingredient (API) must furnish the FDA with an updated record of all drugs that they produce, prepare, propagate, compound, or process for commercial distribution in the US at their facilities.

Compounded drug products

The NDC directory also contains data on finished compounded human drug products that contain Pneumocandin B0 and are produced by outsourcing facilities. While these outsourcing facilities are not mandated to assign a Pneumocandin B0 NDC to their finished compounded human drug products, they may choose to do so.

click here to find a list of Pneumocandin B0 suppliers with NDC on PharmaCompass.

Pneumocandin B0 GMP

Pneumocandin B0 Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Pneumocandin B0 GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Pneumocandin B0 GMP manufacturer or Pneumocandin B0 GMP API supplier for your needs.

Pneumocandin B0 CoA

A Pneumocandin B0 CoA (Certificate of Analysis) is a formal document that attests to Pneumocandin B0's compliance with Pneumocandin B0 specifications and serves as a tool for batch-level quality control.

Pneumocandin B0 CoA mostly includes findings from lab analyses of a specific batch. For each Pneumocandin B0 CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Pneumocandin B0 may be tested according to a variety of international standards, such as European Pharmacopoeia (Pneumocandin B0 EP), Pneumocandin B0 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Pneumocandin B0 USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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