CIPROSTENE

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NCATS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H36O4
Molecular Weight	364.5188
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of CIPROSTENE

Structure Search

SMILES

[H][C@]12C\C(C[C@@]1(C)C[C@@H](O)[C@@H]2\C=C\[C@@H](O)CCCCC)=C\CCCC(O)=O

InChI

InChIKey=VKPYUUBEDXIQIB-QBPWRKFFSA-N

InChI=1S/C22H36O4/c1-3-4-5-9-17(23)11-12-18-19-13-16(8-6-7-10-21(25)26)14-22(19,2)15-20(18)24/h8,11-12,17-20,23-24H,3-7,9-10,13-15H2,1-2H3,(H,25,26)/b12-11+,16-8-/t17-,18+,19+,20+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H36O4
Molecular Weight	364.5188
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:09:18 UTC 2023` Edited by `admin` on `Fri Dec 15 16:09:18 UTC 2023`
Record UNII	KZ075BHY4P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIPROSTENE

Official Name

English

(Z)-(3AS,5R,6R,6AR)-HEXAHYDRO-5-HYDROXY-6-((E)-(3S)-3-HYDROXY-1-OCTENYL)-3A-METHYL-.DELTA.(SUP 2)(1H),.DELTA.-PENTALENEVALERATE

Common Name

English

ciprostene [INN]

Common Name

English

PENTANOIC ACID, 5-(HEXAHYDRO-5-HYDROXY-6-(3-HYDROXY-1-OCTENYL)-3A-METHYL-2(1H)-PENTALENYLIDENE,(3AS-(2Z,3A.ALPHA.,5.BETA.,6.ALPHA.(1E,3R*),6A.ALPHA.))-

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78568

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C79570

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

PRIMARY

ChEMBL

CHEMBL2110886

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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FDA UNII

KZ075BHY4P

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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INN

5513

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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PUBCHEM

6438980

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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CAS

81845-44-5

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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SMS_ID

100000081523

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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EPA CompTox

DTXSID901024660

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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MESH

C045329

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

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EVMPD

SUB07475MIG

Created by admin on Fri Dec 15 16:09:18 UTC 2023 , Edited by admin on Fri Dec 15 16:09:18 UTC 2023

PRIMARY

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