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Chemistry

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Also known as: Fexapotide triflutate [usan], 98lva678me, Nx-1207 trifluoroacetate, 1609252-56-3, Fexapotide triflutate (usan), Unii-98lva678me
Molecular Formula
C100H168F15N27O35S
Molecular Weight
2625.6  g/mol
InChI Key
IBMWAUVJJROIMB-IWEBAUSJSA-N
FDA UNII
98LVA678ME

Fexapotide triflutate
1 2D Structure

Fexapotide triflutate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid;2,2,2-trifluoroacetic acid
2.1.2 InChI
InChI=1S/C90H163N27O25S.5C2HF3O2/c1-15-48(12)68(95)84(137)110-60(41-67(123)124)81(134)105-55(28-31-64(93)119)75(128)104-56(29-32-65(94)120)77(130)115-69(47(10)11)85(138)111-59(39-45(6)7)80(133)113-62(42-118)82(135)103-54(27-23-37-101-90(98)99)76(129)116-70(49(13)16-2)86(139)108-52(25-19-21-35-92)73(126)109-58(38-44(4)5)79(132)106-57(30-33-66(121)122)78(131)117-71(50(14)17-3)87(140)107-51(24-18-20-34-91)72(125)102-53(26-22-36-100-89(96)97)74(127)114-63(43-143)83(136)112-61(88(141)142)40-46(8)9;5*3-2(4,5)1(6)7/h44-63,68-71,118,143H,15-43,91-92,95H2,1-14H3,(H2,93,119)(H2,94,120)(H,102,125)(H,103,135)(H,104,128)(H,105,134)(H,106,132)(H,107,140)(H,108,139)(H,109,126)(H,110,137)(H,111,138)(H,112,136)(H,113,133)(H,114,127)(H,115,130)(H,116,129)(H,117,131)(H,121,122)(H,123,124)(H,141,142)(H4,96,97,100)(H4,98,99,101);5*(H,6,7)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,68-,69-,70-,71-;;;;;/m0...../s1
2.1.3 InChI Key
IBMWAUVJJROIMB-IWEBAUSJSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)N.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O.C(=O)(C(F)(F)F)O
2.2 Other Identifiers
2.2.1 UNII
98LVA678ME
2.3 Synonyms
2.3.1 MeSH Synonyms

1. L-leucine, L-isoleucyl-l-alpha-aspartyl-l-glutaminyl-l-glutaminyl-l-valyl-l-leucyl-l-seryl-l-arginyl-l-isoleucyl-l-lysyl-l-leucyl-l-alpha-glutamyl-l-isoleucyl-l-lysyl-l-arginyl-l-cysteinyl-, 2,2,2-trifluoroacetate (1:5)

2.3.2 Depositor-Supplied Synonyms

1. Fexapotide Triflutate [usan]

2. 98lva678me

3. Nx-1207 Trifluoroacetate

4. 1609252-56-3

5. Fexapotide Triflutate (usan)

6. Unii-98lva678me

7. Chembl3707309

8. Fexapotide Triflutate [who-dd]

9. D11248

10. Ile-asp-gln-gln-val-leu-ser-arg-ile-lys-leu-glu-ile-lys-arg-cys-leu Trifluoroacetate

11. L-isoleucyl-l-alpha-aspartyl-l-glutaminyl-l-glutaminyl-l-valyl-l-leucyl-l-seryl-l-arginyl-l-isoleucyl-l-lysyl-l-leucyl-l-alpha-glutamyl-l-isoleucyl-l-lysyl-l-arginyl-l-cysteinyl-l-leucine Pentakis(2,2,2-trifluoroacetate)

12. L-leucine, L-isoleucyl-l-.alpha.-aspartyl-l-glutaminyl-l-glutaminyl-l-valyl-l-leucyl-l-seryl-l-arginyl-l-isoleucyl-l-lysyl-l-leucyl-l-.alpha.-glutamyl-l-isoleucyl-l-lysyl-l-arginyl-l-cysteinyl-, 2,2,2-trifluoroacetate (1:5)

13. L-leucine, L-isoleucyl-l-alpha-aspartyl-l-glutaminyl-l-glutaminyl-l-valyl-l-leucyl-l-seryl-l-arginyl-l-isoleucyl-l-lysyl-l-leucyl-l-alpha-glutamyl-l-isoleucyl-l-lysyl-l-arginyl-l-cysteinyl-, 2,2,2-trifluoroacetate (1:5)

2.4 Create Date
2015-10-24
3 Chemical and Physical Properties
Molecular Weight 2625.6 g/mol
Molecular Formula C100H168F15N27O35S
Hydrogen Bond Donor Count37
Hydrogen Bond Acceptor Count56
Rotatable Bond Count77
Exact Mass2625.1710886 g/mol
Monoisotopic Mass2624.1677338 g/mol
Topological Polar Surface Area1070 Ų
Heavy Atom Count178
Formal Charge0
Complexity4290
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count6
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Enzyme Activators

Compounds or factors that act on a specific enzyme to increase its activity. (See all compounds classified as Enzyme Activators.)


Urological Agents

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS. (See all compounds classified as Urological Agents.)


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Fexapotide triflutate Manufacturers

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

Fexapotide triflutate Suppliers

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

Fexapotide triflutate GMP

Fexapotide triflutate 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 Fexapotide triflutate 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 Fexapotide triflutate GMP manufacturer or Fexapotide triflutate GMP API supplier for your needs.

Fexapotide triflutate CoA

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

Fexapotide triflutate CoA mostly includes findings from lab analyses of a specific batch. For each Fexapotide triflutate 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.

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