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Details

Stereochemistry MIXED
Molecular Formula C17H20ClNO
Molecular Weight 289.8
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Clemeprol

SMILES

CN(C)CC(O)C(C1=CC=CC=C1)C2=CC=C(Cl)C=C2

InChI

InChIKey=YXOXPPZXGQCEEG-UHFFFAOYSA-N
InChI=1S/C17H20ClNO/c1-19(2)12-16(20)17(13-6-4-3-5-7-13)14-8-10-15(18)11-9-14/h3-11,16-17,20H,12H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H20ClNO
Molecular Weight 289.8
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:47:14 UTC 2023
Edited
by admin
on Sat Dec 16 17:47:14 UTC 2023
Record UNII
R3TC4SEW5A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Clemeprol
INN  
INN  
Official Name English
clemeprol [INN]
Common Name English
BRL-14342
Code English
3-Chloro-α-[(dimethylamino)methyl]-β-phenylbenzeneethanol
Systematic Name English
Benzeneethanol, 3-chloro-α-[(dimethylamino)methyl]-β-phenyl-
Systematic Name English
1-(3-Chlorophenyl)-3-(dimethylamino)-1-phenyl-2-propanol
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C265
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
Code System Code Type Description
CAS
71827-56-0
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
INN
5175
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
PUBCHEM
71985
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
NCI_THESAURUS
C79858
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
FDA UNII
R3TC4SEW5A
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
EVMPD
SUB06649MIG
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106077
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID90868035
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
SMS_ID
100000080192
Created by admin on Sat Dec 16 17:47:14 UTC 2023 , Edited by admin on Sat Dec 16 17:47:14 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY