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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26ClNO.C4H4O4
Molecular Weight 459.962
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of CLEMASTINE FUMARATE

SMILES

OC(=O)\C=C\C(O)=O.CN1CCC[C@@H]1CCO[C@](C)(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=PMGQWSIVQFOFOQ-YKVZVUFRSA-N
InChI=1S/C21H26ClNO.C4H4O4/c1-21(17-7-4-3-5-8-17,18-10-12-19(22)13-11-18)24-16-14-20-9-6-15-23(20)2;5-3(6)1-2-4(7)8/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t20-,21-;/m1./s1

HIDE SMILES / InChI
Molecular Formula C4H4O4
Molecular Weight 116.0722
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE
Molecular Formula C21H26ClNO
Molecular Weight 343.89
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:32:46 UTC 2023
Edited
by admin
on Sat Dec 16 07:32:46 UTC 2023
Record UNII
19259EGQ3D
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLEMASTINE FUMARATE
EP   HSDB   MART.   ORANGE BOOK   USAN   USP   USP-RS   VANDF   WHO-DD  
USAN  
Official Name English
Clemastine fumarate [WHO-DD]
Common Name English
TAVIST
Brand Name English
CLEMASTINE FUMARATE [MART.]
Common Name English
CLEMASTINE FUMARATE [HSDB]
Common Name English
CLEMASTINE FUMARATE [ORANGE BOOK]
Common Name English
CLEMASTINE FUMARATE [USP MONOGRAPH]
Common Name English
CLEMASTINE FUMARATE [VANDF]
Common Name English
CLEMASTINE FUMARATE [EP MONOGRAPH]
Common Name English
CLEMASTINE FUMARATE [JAN]
Common Name English
CLEMASTINE FUMARATE COMPONENT OF TAVIST-D
Common Name English
TAVIST-D COMPONENT CLEMASTINE FUMARATE
Common Name English
PYRROLIDINE, 2-(2-(1-(4-CHLOROPHENYL)-1-PHENYLETHOXY)ETHYL)-1-METHYL-, (R-(R*,R*))-, (E)-2-BUTENEDIOATE (1:1)
Common Name English
CLEMASTINE FUMARATE [USP-RS]
Common Name English
CLEMASTINE HYDROGEN FUMARATE [MI]
Common Name English
CLEMASTINE HYDROGEN FUMARATE
MI  
Common Name English
(+)-(2R)-2-(2-(((R)-P-CHLORO-.ALPHA.-METHYL-.ALPHA.-PHENYLBENZYL)OXY)ETHYL)-1-METHYLPYRROLIDINE FUMARATE (1:1)
Common Name English
CLEMASTINE FUMARATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
Code System Code Type Description
CAS
14976-57-9
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
DRUG BANK
DBSALT000901
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL1626
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
SMS_ID
100000087930
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
ECHA (EC/EINECS)
239-055-2
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
EPA CompTox
DTXSID6047785
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
NCI_THESAURUS
C47454
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
MERCK INDEX
m3613
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY Merck Index
PUBCHEM
5281069
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
FDA UNII
19259EGQ3D
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
HSDB
6507
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
EVMPD
SUB01335MIG
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
CHEBI
3739
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
RS_ITEM_NUM
1134506
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
DAILYMED
19259EGQ3D
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY
RXCUI
142430
Created by admin on Sat Dec 16 07:32:46 UTC 2023 , Edited by admin on Sat Dec 16 07:32:46 UTC 2023
PRIMARY RxNorm
Related Record Type Details
Structure of Fumaric acid
PARENT -> SALT/SOLVATE
Structure of CLEMASTINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of 4-CHLOROBENZOPHENONE
IMPURITY -> PARENT
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
Related Record Type Details
Structure of CLEMASTINE
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