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Details

Stereochemistry RACEMIC
Molecular Formula C22H28ClO6.Na
Molecular Weight 446.897
Optical Activity ( + / - )
Defined Stereocenters 5 / 5
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of CLOPROSTENOL SODIUM

SMILES

[Na+].O[C@@H](COC1=CC=CC(Cl)=C1)\C=C\[C@H]2[C@H](O)C[C@H](O)[C@@H]2C\C=C/CCCC([O-])=O

InChI

InChIKey=IFEJLMHZNQJGQU-KXXGZHCCSA-M
InChI=1S/C22H29ClO6.Na/c23-15-6-5-7-17(12-15)29-14-16(24)10-11-19-18(20(25)13-21(19)26)8-3-1-2-4-9-22(27)28;/h1,3,5-7,10-12,16,18-21,24-26H,2,4,8-9,13-14H2,(H,27,28);/q;+1/p-1/b3-1-,11-10+;/t16-,18-,19-,20+,21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H28ClO6
Molecular Weight 423.907
Charge -1
Count
Stereochemistry RACEMIC
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 15:25:40 UTC 2023
Edited
by admin
on Fri Dec 15 15:25:40 UTC 2023
Record UNII
886SAV9675
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOPROSTENOL SODIUM
GREEN BOOK   MART.   USAN   USP   USP-RS  
USAN  
Official Name English
CLOPROSTENOL SODIUM [USP-RS]
Common Name English
5-HEPTENOIC ACID, 7-((1R,2R,3R,5S)-2-((1E,3S)-4-(3-CHLOROPHENOXY)-3-HYDROXY-1-BUTEN-1-Y))-3,5-DIHYDROXYCYCLOPENTYL)-, SODIUM SALT (1:1),(5Z)-REL-
Common Name English
CLOPROSTENOL SODIUM [USP IMPURITY]
Common Name English
CLOPROSTENOL SODIUM [MART.]
Common Name English
ICI-80996
Code English
5-HEPTENOIC ACID, 7-(2-(4-(3-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-, (1A(Z),2B(1E,3R*),3.ALPHA.,5.ALPHA.)-, SODIUM SALT, (±)-
Common Name English
CLOPROSTENOL SODIUM [USAN]
Common Name English
ICI 80,996
Code English
(±)-SODIUM (Z)-7-((1R*,2R*,3R*,5S*)-2-((E)-(3R*)-4-(M-CHLOROPHENOXY)-3-HYDROXY-1-BUTENYL)-3,5-DIHYDROXYCYCLOPENTYL)-5-HEPTENOATE
Systematic Name English
PLANATE
Brand Name English
CLOPROSTENOL SODIUM [GREEN BOOK]
Common Name English
SODIUM CLOPROSTENOL
Common Name English
CLOPROSTENOL SODIUM SALT
MI  
Common Name English
ESTRUMATE
Brand Name English
CLOPROSTENOL SODIUM [USP MONOGRAPH]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C78568
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
CFR 21 CFR 522.460
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
Code System Code Type Description
ECHA (EC/EINECS)
259-439-3
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
FDA UNII
886SAV9675
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
DAILYMED
886SAV9675
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
DRUG BANK
DBSALT001672
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
MERCK INDEX
m3658
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C76897
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID1046500
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
RXCUI
204179
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY RxNorm
CAS
55028-72-3
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
SMS_ID
100000166274
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
EVMPD
SUB180342
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL2220404
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
RS_ITEM_NUM
1140666
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
PUBCHEM
17756794
Created by admin on Fri Dec 15 15:25:40 UTC 2023 , Edited by admin on Fri Dec 15 15:25:40 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY