4-(Nitrooxy)butyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41NO8
Molecular Weight	507.6163
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of 4-(Nitrooxy)butyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate

Structure Search

SMILES

O[C@@H](CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)OCCCCO[N+]([O-])=O)CCC2=CC=CC=C2

InChI

InChIKey=LOVMMUBRQUFEAH-HYQLKQNJSA-N

InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23-,24-,25+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H41NO8
Molecular Weight	507.6163
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:18:58 GMT 2023` Edited by `admin` on `Sat Dec 16 20:18:58 GMT 2023`
Record UNII	V8ZHT435TH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-(Nitrooxy)butyl (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate

Systematic Name

English

15S-Latanoprostene bunod

Common Name

English

5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 4-(nitrooxy)butyl ester, (5Z)-

Systematic Name

English

Code System Code Type Description

CAS

2099033-64-2

Created by admin on Sat Dec 16 20:18:58 GMT 2023 , Edited by admin on Sat Dec 16 20:18:58 GMT 2023

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PUBCHEM

162657464

Created by admin on Sat Dec 16 20:18:58 GMT 2023 , Edited by admin on Sat Dec 16 20:18:58 GMT 2023

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FDA UNII

V8ZHT435TH

Created by admin on Sat Dec 16 20:18:58 GMT 2023 , Edited by admin on Sat Dec 16 20:18:58 GMT 2023

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