PATUPILONE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41NO6S
Molecular Weight	507.683
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of PATUPILONE

Structure Search

SMILES

C[C@H]1CCC[C@@]2(C)O[C@H]2C[C@H](OC(=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=QXRSDHAAWVKZLJ-PVYNADRNSA-N

InChI=1S/C27H41NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h11,14-15,17,20-22,24,29,31H,8-10,12-13H2,1-7H3/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H41NO6S
Molecular Weight	507.683
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 Dec 15 18:50:20 UTC 2023` Edited by `admin` on `Fri Dec 15 18:50:20 UTC 2023`
Record UNII	UEC0H0URSE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

PATUPILONE

Official Name

English

Patupilone [WHO-DD]

Common Name

English

EPO906

Code

English

4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11-DIHYDROXY-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

GNF-PF-193

Code

English

patupilone [INN]

Common Name

English

PATUPILONE [MART.]

Common Name

English

(1S,3S,7S,10R,11S,12S,16R)-7,11-DIHYDROXY-8,8,10,12,16-PENTAMETHYL-3-((E)-1-METHYL-2-(2-METHYL-1,3-THIAZOL-4-YL)VINYL)-4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE

Systematic Name

English

EPO-906A

Code

English

EPO B

Common Name

English

EPO906A

Code

English

(-)-Epothilone B

Common Name

English

EPITHILONE B

Common Name

English

EPO-906

Code

English

EPOTHILONE B [MI]

Common Name

English

EPOTHILONE B

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

298809

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

FDA ORPHAN DRUG

210205

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

NCI_THESAURUS

C1922

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

NCI_THESAURUS

C67437

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

FDA ORPHAN DRUG

298909

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

EU-Orphan Drug

EU/3/09/687

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

Code System Code Type Description

MESH

C093788

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

ChEMBL

CHEMBL94657

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

PUBCHEM

448013

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

NCI_THESAURUS

C1623

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

INN

8320

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

CAS

152044-54-7

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

FDA UNII

UEC0H0URSE

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

MERCK INDEX

m4954

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

Merck Index

DRUG BANK

DB03010

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

SMS_ID

100000126141

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

EPA CompTox

DTXSID4046862

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

CHEBI

31550

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

EVMPD

SUB33376

Created by admin on Fri Dec 15 18:50:20 UTC 2023 , Edited by admin on Fri Dec 15 18:50:20 UTC 2023

PRIMARY

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