EPOTHILONE D

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41NO5S
Molecular Weight	491.683
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of EPOTHILONE D

Structure Search

SMILES

C[C@H]1CCCC(C)=CC[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C2=CSC(C)=N2

InChI

InChIKey=XOZIUKBZLSUILX-GIQCAXHBSA-N

InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

EPOTHILONE D

Common Name

English

OXACYCLOHEXADEC-13-ENE-2,6-DIONE, 4,8-DIHYDROXY-5,5,7,9,13-PENTAMETHYL-16-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (4S,7R,8S,9S,13Z,16S)-

Systematic Name

English

12,13-DESOXYEPOTHILONE B, CIS

Common Name

English

(-)-DESOXYEPOTHILONE B

Common Name

English

EPOTHILONE D [MI]

Common Name

English

12,13-DESOXYEPOTHILONE B

Common Name

English

KOS-862

Code

English

NSC-703147

Code

English

R1492

Code

English

DESOXYEPOTHILONE B

Common Name

English

Epothilone D [WHO-DD]

Common Name

English

R-1492

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1922

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

NCI_THESAURUS

C67437

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

Code System Code Type Description

CHEBI

29579

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

PRIMARY

DRUG BANK

DB01873

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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FDA UNII

T0358E0YUF

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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CAS

189453-10-9

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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SMS_ID

100000177894

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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NCI_THESAURUS

C2672

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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NSC

703147

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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EVMPD

SUB77416

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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MERCK INDEX

m4954

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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Merck Index

PUBCHEM

447865

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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EPA CompTox

DTXSID70880053

Created by admin on Fri Dec 15 15:29:43 UTC 2023 , Edited by admin on Fri Dec 15 15:29:43 UTC 2023

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ACTIVE MOIETY


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