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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H26ClNO
Molecular Weight 343.89
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLEMASTINE

SMILES

CN1CCC[C@@H]1CCO[C@](C)(C2=CC=CC=C2)C3=CC=C(Cl)C=C3

InChI

InChIKey=YNNUSGIPVFPVBX-NHCUHLMSSA-N
InChI=1S/C21H26ClNO/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/h3-5,7-8,10-13,20H,6,9,14-16H2,1-2H3/t20-,21-/m1/s1

HIDE SMILES / InChI
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 Fri Dec 15 15:18:53 UTC 2023
Edited
by admin
on Fri Dec 15 15:18:53 UTC 2023
Record UNII
95QN29S1ID
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLEMASTINE
INN   MI   USAN   VANDF   WHO-DD  
INN   USAN  
Official Name English
CLEMASTIN
Common Name English
clemastine [INN]
Common Name English
Clemastine [WHO-DD]
Common Name English
CLEMASTINE [MI]
Common Name English
PYRROLIDINE, 2-(2-(1-(4-CHLOROPHENYL)-1-PHENYLETHOXY)ETHYL)-1-METHYL-, (R-(R*,R*))
Common Name English
HS-592
Code English
CLEMASTINE [USAN]
Common Name English
CLEMASTINE [VANDF]
Common Name English
(+)-(2R)-2-(-(((R)-P-CHLORO-.ALPHA.-METHYL-.ALPHA.-PHENYLBENZYL)OXY)ETHYL)-1-METHYLPYRROLIDINE
Common Name English
NSC-756685
Code English
Classification Tree Code System Code
WHO-VATC QD04AA14
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
WHO-VATC QR06AA04
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
LIVERTOX NBK548709
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
WHO-ATC R06AA54
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
WHO-VATC QR06AA54
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
WHO-ATC D04AA14
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
WHO-ATC R06AA04
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
Code System Code Type Description
MESH
D002974
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
EVMPD
SUB06648MIG
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
RXCUI
2578
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY RxNorm
IUPHAR
6063
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
DRUG BANK
DB00283
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
EPA CompTox
DTXSID2022832
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
PUBCHEM
26987
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
NCI_THESAURUS
C61682
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
INN
2231
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
WIKIPEDIA
CLEMASTINE
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
MERCK INDEX
m3613
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
671
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
ChEMBL
CHEMBL1626
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
NSC
756685
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
LACTMED
Clemastine
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
CAS
15686-51-8
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
SMS_ID
100000080172
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
CHEBI
3738
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
FDA UNII
95QN29S1ID
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
DAILYMED
95QN29S1ID
Created by admin on Fri Dec 15 15:18:53 UTC 2023 , Edited by admin on Fri Dec 15 15:18:53 UTC 2023
PRIMARY
Related Record Type Details
HISTAMINE H1 RECEPTOR
TARGET -> INHIBITOR
Structure of CLEMASTINE FUMARATE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of 1-(4-CHLOROPHENYL)-HYDROXY-PHENYLETHANAL
METABOLITE -> PARENT
Structure of 1-(4-CHLOROPHENYL)-1-PHENYLETHANOL
METABOLITE -> PARENT
Structure of 1-CHLORO-4-(1-PHENYLETHENYL)-BENZENE
METABOLITE -> PARENT
Structure of 4-CHLOROBENZOPHENONE
METABOLITE -> PARENT
Structure of 1-(4-CHLOROPHENYL)-1-PHENYL-1,2-ETHANDIOL
METABOLITE -> PARENT
Related Record Type Details
Structure of CLEMASTINE
ACTIVE MOIETY
NIH
NCATS
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ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
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