(Z)-IXABEPILONE

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

[H][C@]12C[C@H](NC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC[C@@]1(C)O2)C(\C)=C/C3=CSC(C)=N3

InChI

InChIKey=FABUFPQFXZVHFB-UFMFRQELSA-N

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

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(Z)-IXABEPILONE

Common Name

English

BMS 590113

Common Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

PUBCHEM

87307585

Created by admin on Sat Dec 16 16:36:22 GMT 2023 , Edited by admin on Sat Dec 16 16:36:22 GMT 2023

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FDA UNII

7G06YGB3VG

Created by admin on Sat Dec 16 16:36:22 GMT 2023 , Edited by admin on Sat Dec 16 16:36:22 GMT 2023

PRIMARY

CAS

1220999-07-4

Created by admin on Sat Dec 16 16:36:22 GMT 2023 , Edited by admin on Sat Dec 16 16:36:22 GMT 2023

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SUBSTANCE RECORD


					7G06YGB3VG

(Z)-IXABEPILONE