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Chemistry

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Also known as: Timbetasin acetate [usan], Unii-945crj0xz0, 945crj0xz0, Gbt-201, Rgn-259
Molecular Formula
C214H354N56O80S
Molecular Weight
5023  g/mol
InChI Key
SDININHGNOTFOY-UHFFFAOYSA-N

Timbetasin Acetate
1 2D Structure

Timbetasin Acetate

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[1-[2-[[2-[(2-acetamido-3-hydroxypropanoyl)amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoylamino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-6-aminohexanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoylamino]acetyl]amino]-5-[(1-carboxy-2-hydroxyethyl)amino]-5-oxopentanoic acid;acetic acid
2.1.2 InChI
InChI=1S/C212H350N56O78S.C2H4O2/c1-16-106(7)166(261-190(323)131(64-75-160(292)293)231-172(305)109(10)228-174(307)134(78-91-347-15)245-196(329)140(98-165(302)303)255-201(334)147-53-39-88-266(147)209(342)135(52-29-38-87-221)250-197(330)139(97-164(300)301)254-198(331)143(100-269)229-113(14)276)204(337)246-129(62-73-158(288)289)187(320)233-118(47-24-33-82-216)179(312)252-137(94-114-42-19-18-20-43-114)194(327)253-138(96-163(298)299)195(328)237-121(50-27-36-85-219)181(314)258-144(101-270)199(332)239-119(48-25-34-83-217)178(311)251-136(92-104(3)4)193(326)236-116(45-22-31-80-214)175(308)235-122(51-28-37-86-220)189(322)263-168(110(11)273)207(340)249-133(66-77-162(296)297)192(325)264-169(111(12)274)206(339)248-126(58-69-152(224)279)184(317)243-128(61-72-157(286)287)186(319)234-120(49-26-35-84-218)180(313)256-142(95-153(225)280)211(344)268-90-40-54-148(268)202(335)257-141(93-105(5)6)210(343)267-89-41-55-149(267)203(336)259-145(102-271)200(333)238-117(46-23-32-81-215)177(310)244-132(65-76-161(294)295)191(324)265-170(112(13)275)208(341)262-167(107(8)17-2)205(338)247-130(63-74-159(290)291)188(321)241-125(57-68-151(223)278)183(316)242-127(60-71-156(284)285)185(318)232-115(44-21-30-79-213)176(309)240-124(56-67-150(222)277)173(306)227-108(9)171(304)226-99-154(281)230-123(59-70-155(282)283)182(315)260-146(103-272)212(345)346;1-2(3)4/h18-20,42-43,104-112,115-149,166-170,269-275H,16-17,21-41,44-103,213-221H2,1-15H3,(H2,222,277)(H2,223,278)(H2,224,279)(H2,225,280)(H,226,304)(H,227,306)(H,228,307)(H,229,276)(H,230,281)(H,231,305)(H,232,318)(H,233,320)(H,234,319)(H,235,308)(H,236,326)(H,237,328)(H,238,333)(H,239,332)(H,240,309)(H,241,321)(H,242,316)(H,243,317)(H,244,310)(H,245,329)(H,246,337)(H,247,338)(H,248,339)(H,249,340)(H,250,330)(H,251,311)(H,252,312)(H,253,327)(H,254,331)(H,255,334)(H,256,313)(H,257,335)(H,258,314)(H,259,336)(H,260,315)(H,261,323)(H,262,341)(H,263,322)(H,264,325)(H,265,324)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,345,346);1H3,(H,3,4)
2.1.3 InChI Key
SDININHGNOTFOY-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)N)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C.CC(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Timbetasin Acetate [usan]

2. Unii-945crj0xz0

3. 945crj0xz0

4. Gbt-201

5. Rgn-259

2.3 Create Date
2021-01-28
3 Chemical and Physical Properties
Molecular Weight 5023 g/mol
Molecular Formula C214H354N56O80S
Hydrogen Bond Donor Count73
Hydrogen Bond Acceptor Count90
Rotatable Bond Count180
Exact Mass5022.5141559 g/mol
Monoisotopic Mass5020.5074462 g/mol
Topological Polar Surface Area2280 Ų
Heavy Atom Count351
Formal Charge0
Complexity12200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count47
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

ABOUT THIS PAGE

Timbetasin Acetate Manufacturers

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

Timbetasin Acetate Suppliers

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

Timbetasin Acetate GMP

Timbetasin Acetate 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 Timbetasin Acetate 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 Timbetasin Acetate GMP manufacturer or Timbetasin Acetate GMP API supplier for your needs.

Timbetasin Acetate CoA

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

Timbetasin Acetate CoA mostly includes findings from lab analyses of a specific batch. For each Timbetasin Acetate 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.

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