(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O5
Molecular Weight	368.5075
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid

Structure Search

SMILES

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

InChI

InChIKey=DLJKPYFALUEJCK-MRVZPHNRSA-N

InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,19-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O5
Molecular Weight	368.5075
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 `Wed Apr 02 06:39:01 GMT 2025` Edited by `admin` on `Wed Apr 02 06:39:01 GMT 2025`
Record UNII	V0STI57XNU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid

Systematic Name

English

TRANS-CARBOPROST

Preferred Name

English

Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5E,9?,11?,13E,15S)-

Systematic Name

English

CARBOPROST TROMETAMOL IMPURITY A [EP IMPURITY]

Common Name

English

TRANS-CARBOPROST [USP IMPURITY]

Common Name

English

(E)-7-((1R,2R,3R,5S)-3,5-DIHYDROXY-2-((E)-(3S)-3-HYDROXY-3-METHYLOCT-1-ENYL)CYCLOPENTYL)-5-HEPTENOIC ACID

Systematic Name

English

Code System Code Type Description

FDA UNII

V0STI57XNU

Created by admin on Wed Apr 02 06:39:01 GMT 2025 , Edited by admin on Wed Apr 02 06:39:01 GMT 2025

PRIMARY

CAS

76498-29-8

Created by admin on Wed Apr 02 06:39:01 GMT 2025 , Edited by admin on Wed Apr 02 06:39:01 GMT 2025

PRIMARY

PUBCHEM

5284525

Created by admin on Wed Apr 02 06:39:01 GMT 2025 , Edited by admin on Wed Apr 02 06:39:01 GMT 2025

PRIMARY

Related Record Type Details


					U4526F86FJ

CARBOPROST TROMETHAMINE

PARENT -> IMPURITY

Interaction Type:

CHROMATOGRAPHIC PURITY (HPLC/UV)

Qualification:

USP

Amount: