14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H43NO4S
Molecular Weight	465.689
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin

Structure Search

SMILES

C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC(C)(C)CN

InChI

InChIKey=SFHAPCGDMNOXSA-ZHLRGWEPSA-N

InChI=1S/C26H43NO4S/c1-8-24(6)13-19(31-20(29)14-32-23(4,5)15-27)25(7)16(2)9-11-26(17(3)22(24)30)12-10-18(28)21(25)26/h8,16-17,19,21-22,30H,1,9-15,27H2,2-7H3/t16-,17+,19-,21+,22+,24-,25+,26+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H43NO4S
Molecular Weight	465.689
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:57:35 GMT 2025` Edited by `admin` on `Wed Apr 02 16:57:35 GMT 2025`
Record UNII	ZGQ687KMB7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyl-5-hydroxy-4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopenta[8]annulen-8-yl [(2-amino-1,1-dimethylethyl)sulfanyl]acetate

Preferred Name

English

14-O-[(1-Amino-2-methylpropan-2-yl)thioacetyl]mutilin

Common Name

English

dimethyl cysteaminyl pleuromulin

Common Name

English

VALNEMULIN HYDROCHLORIDE IMPURITY B [EP IMPURITY]

Common Name

English

Acetic acid, 2-[(2-amino-1,1-dimethylethyl)thio]-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, stereoisomer

Common Name

English

Code System Code Type Description

PUBCHEM

60195129

Created by admin on Wed Apr 02 16:57:35 GMT 2025 , Edited by admin on Wed Apr 02 16:57:35 GMT 2025

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FDA UNII

ZGQ687KMB7

Created by admin on Wed Apr 02 16:57:35 GMT 2025 , Edited by admin on Wed Apr 02 16:57:35 GMT 2025

PRIMARY

EPA CompTox

DTXSID501215532

Created by admin on Wed Apr 02 16:57:35 GMT 2025 , Edited by admin on Wed Apr 02 16:57:35 GMT 2025

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CAS

133787-61-8

Created by admin on Wed Apr 02 16:57:35 GMT 2025 , Edited by admin on Wed Apr 02 16:57:35 GMT 2025

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Related Record Type Details


					W1GDP58BNQ

VALNEMULIN HYDROCHLORIDE

PARENT -> IMPURITY

Amount: