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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 of BMS-249798

SMILES

[H][C@@]12C[C@H](N=C(C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O)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 Fri Jul 07 00:21:49 UTC 2023
Edited
by admin
on Fri Jul 07 00:21:49 UTC 2023
Record UNII
NAK7N0HCZ3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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
BMS 249798
Code English
IXABEPILONE OXAZINE ANALOG
Common Name English
Code System Code Type Description
PUBCHEM
59070255
Created by admin on Fri Jul 07 00:21:49 UTC 2023 , Edited by admin on Fri Jul 07 00:21:49 UTC 2023
PRIMARY
CAS
444197-71-1
Created by admin on Fri Jul 07 00:21:49 UTC 2023 , Edited by admin on Fri Jul 07 00:21:49 UTC 2023
PRIMARY
FDA UNII
NAK7N0HCZ3
Created by admin on Fri Jul 07 00:21:49 UTC 2023 , Edited by admin on Fri Jul 07 00:21:49 UTC 2023
PRIMARY
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