11-HYDROXY IXABEPILONE

Details

Stereochemistry	UNKNOWN
Molecular Formula	C27H42N2O6S
Molecular Weight	522.697
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 8
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CC(O)C[C@@]2(C)O[C@H]2C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C3=CSC(C)=N3

InChI

InChIKey=SSRGMBWLTNZGOZ-TXLMAMAASA-N

InChI=1S/C27H42N2O6S/c1-14(8-18-13-36-17(4)28-18)20-10-22-27(7,35-22)12-19(30)9-15(2)24(33)16(3)25(34)26(5,6)21(31)11-23(32)29-20/h8,13,15-16,19-22,24,30-31,33H,9-12H2,1-7H3,(H,29,32)/b14-8+/t15-,16+,19?,20-,21-,22-,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H42N2O6S
Molecular Weight	522.697
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	7 / 8
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:41:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:41:45 GMT 2025`
Record UNII	UV7UR3J2NS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

11-HYDROXY IXABEPILONE

Common Name

English

(1S,3S,7S,10R,11S,12S,16R)-7,11,14-TRIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-17-OXA-4-AZABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE

Preferred Name

English

17-OXA-4-AZABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11,14-TRIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (1S,3S,7S,10R,11S,12S,16R)-

Systematic Name

English

Code System Code Type Description

CAS

1221969-53-4

Created by admin on Mon Mar 31 21:41:45 GMT 2025 , Edited by admin on Mon Mar 31 21:41:45 GMT 2025

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PUBCHEM

156028064

Created by admin on Mon Mar 31 21:41:45 GMT 2025 , Edited by admin on Mon Mar 31 21:41:45 GMT 2025

PRIMARY

FDA UNII

UV7UR3J2NS

Created by admin on Mon Mar 31 21:41:45 GMT 2025 , Edited by admin on Mon Mar 31 21:41:45 GMT 2025

PRIMARY

Related Record Type Details


					K27005NP0A

IXABEPILONE

PARENT -> METABOLITE

Qualification:

FECAL; PLASMA; URINE

Amount: