BMS-249798

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H42N2O5S
Molecular Weight	506.698
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CCC[C@@](C)(O)[C@H]2C[C@H](N=C(C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)O2)C(\C)=C\C3=CSC(C)=N3

InChI

InChIKey=FPCDGGUJVYBNLK-RNERNZGZSA-N

InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7,33)22-12-20(16(2)11-19-14-35-18(4)28-19)29-23(34-22)13-21(30)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,30-31,33H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22+,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H42N2O5S
Molecular Weight	506.698
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 13:41:43 GMT 2025` Edited by `admin` on `Wed Apr 02 13:41:43 GMT 2025`
Record UNII	NAK7N0HCZ3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BMS 249798

Preferred Name

English

BMS-249798

Code

English

17-OXA-14-AZABICYCLO(11.3.1)HEPTADEC-13-EN-9-ONE, 2,7,11-TRIHYDROXY-2,6,8,10,10-PENTAMETHYL-15-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (1R,2R,6S,7S,8R,11S,15S)-

Systematic Name

English

(1R,2R,6S,7S,8R,11S,15S)-2,7,11-TRIHYDROXY-2,6,8,10,10-PENTAMETHYL-15-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-17-OXA-14-AZABICYCLO(11.3.1)HEPTADEC-13-EN-9-ONE

Systematic Name

English

IXABEPILONE OXAZINE ANALOG

Common Name

English

Code System Code Type Description

PUBCHEM

59070255

Created by admin on Wed Apr 02 13:41:43 GMT 2025 , Edited by admin on Wed Apr 02 13:41:43 GMT 2025

PRIMARY

CAS

444197-71-1

Created by admin on Wed Apr 02 13:41:43 GMT 2025 , Edited by admin on Wed Apr 02 13:41:43 GMT 2025

PRIMARY

FDA UNII

NAK7N0HCZ3

Created by admin on Wed Apr 02 13:41:43 GMT 2025 , Edited by admin on Wed Apr 02 13:41:43 GMT 2025

PRIMARY

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