U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO
Molecular Weight 261.4024
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (1S,2S)-2-[Benzyl(methyl)amino]-1-cyclohexylpropan-1-ol

SMILES

C[C@@H]([C@@H](O)C1CCCCC1)N(C)CC2=CC=CC=C2

InChI

InChIKey=XEOWNYHIKBQRPC-WMLDXEAASA-N
InChI=1S/C17H27NO/c1-14(17(19)16-11-7-4-8-12-16)18(2)13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17,19H,4,7-8,11-13H2,1-2H3/t14-,17+/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H27NO
Molecular Weight 261.4024
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:21:00 GMT 2023
Edited
by admin
on Sat Dec 16 18:21:00 GMT 2023
Record UNII
UM2RL3EDE2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,2S)-2-[Benzyl(methyl)amino]-1-cyclohexylpropan-1-ol
Systematic Name English
Cyclohexanemethanol, α-[(1S)-1-[methyl(phenylmethyl)amino]ethyl]-, (αS)-
Common Name English
(αS)-α-[(1S)-1-[Methyl(phenylmethyl)amino]ethyl]cyclohexanemethanol
Systematic Name English
Benzphetamine Related Compound F [USP IMPURITY]
Common Name English
Code System Code Type Description
CAS
1592235-31-8
Created by admin on Sat Dec 16 18:21:01 GMT 2023 , Edited by admin on Sat Dec 16 18:21:01 GMT 2023
PRIMARY
FDA UNII
UM2RL3EDE2
Created by admin on Sat Dec 16 18:21:01 GMT 2023 , Edited by admin on Sat Dec 16 18:21:01 GMT 2023
PRIMARY
PUBCHEM
166177180
Created by admin on Sat Dec 16 18:21:01 GMT 2023 , Edited by admin on Sat Dec 16 18:21:01 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP