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

Details

Stereochemistry RACEMIC
Molecular Formula C20H25NO2
Molecular Weight 311.418
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOBUTAMINE

SMILES

CCC(COC(=O)C1=CC=CC=C1)(CN(C)C)C2=CC=CC=C2

InChI

InChIKey=YFAKHWQTDGNFFU-UHFFFAOYSA-N
InChI=1S/C20H25NO2/c1-4-20(15-21(2)3,18-13-9-6-10-14-18)16-23-19(22)17-11-7-5-8-12-17/h5-14H,4,15-16H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C20H25NO2
Molecular Weight 311.418
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:15:01 GMT 2023
Edited
by admin
on Sat Dec 16 10:15:01 GMT 2023
Record UNII
X958N7N4IM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZOBUTAMINE
Common Name English
BENZENEETHANOL, .BETA.-((DIMETHYLAMINO)METHYL)-.BETA.-ETHYL-, BENZOATE (ESTER)
Common Name English
PHENETHYL ALCOHOL, .BETA.-((DIMETHYLAMINO)METHYL)-.BETA.-ETHYL-, BENZOATE
Systematic Name English
BENZOBUTAMIN
Common Name English
PHENETHYL ALCOHOL, .BETA.-((DIMETHYLAMINO)METHYL)-.BETA.-ETHYL-, BENZOATE (ESTER)
Common Name English
Code System Code Type Description
FDA UNII
X958N7N4IM
Created by admin on Sat Dec 16 10:15:01 GMT 2023 , Edited by admin on Sat Dec 16 10:15:01 GMT 2023
PRIMARY
PUBCHEM
10425594
Created by admin on Sat Dec 16 10:15:01 GMT 2023 , Edited by admin on Sat Dec 16 10:15:01 GMT 2023
PRIMARY
CAS
3562-48-9
Created by admin on Sat Dec 16 10:15:01 GMT 2023 , Edited by admin on Sat Dec 16 10:15:01 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT