U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H23NO3.ClH
Molecular Weight 337.841
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOBUTAMINE HYDROCHLORIDE, (R)-

SMILES

Cl.C[C@H](CCC1=CC=C(O)C=C1)NCCC2=CC=C(O)C(O)=C2

InChI

InChIKey=BQKADKWNRWCIJL-BTQNPOSSSA-N
InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H/t13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C18H23NO3
Molecular Weight 301.3801
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:42:18 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:18 GMT 2025
Record UNII
WJP9JTX02O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOBUTAMINE HYDROCHLORIDE, (R)-
Common Name English
1,2-BENZENEDIOL, 4-(2-((3-(4-HYDROXYPHENYL)-1-METHYLPROPYL)AMINO)ETHYL)-, HYDROCHLORIDE, (R)-
Preferred Name English
Code System Code Type Description
CAS
51062-28-3
Created by admin on Mon Mar 31 23:42:18 GMT 2025 , Edited by admin on Mon Mar 31 23:42:18 GMT 2025
PRIMARY
FDA UNII
WJP9JTX02O
Created by admin on Mon Mar 31 23:42:18 GMT 2025 , Edited by admin on Mon Mar 31 23:42:18 GMT 2025
PRIMARY
PUBCHEM
22841762
Created by admin on Mon Mar 31 23:42:18 GMT 2025 , Edited by admin on Mon Mar 31 23:42:18 GMT 2025
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER