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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 (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate

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-LMDVOQDDSA-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+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(Nitrooxy)butyl (5E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-5-heptenoate
Systematic Name English
5,6 Latanoprostene bunod Impurity
Common Name English
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-phenylpentyl]cyclopentyl]-, 4-(nitrooxy)butyl ester, (5E)-
Systematic Name English
Code System Code Type Description
CAS
2099033-66-4
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
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FDA UNII
TB2BRZ66L4
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
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PUBCHEM
129187973
Created by admin on Sat Dec 16 20:12:09 GMT 2023 , Edited by admin on Sat Dec 16 20:12:09 GMT 2023
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