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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H16ClNO3.ClH
Molecular Weight 342.217
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.OC1=CC=C(C=C1)[C@H]2CNCCC3=C(Cl)C(O)=C(O)C=C23

InChI

InChIKey=NLMPGIXLXSPNFS-BTQNPOSSSA-N
InChI=1S/C16H16ClNO3.ClH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H/t13-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C16H16ClNO3
Molecular Weight 305.756
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 Sat Dec 16 10:12:31 UTC 2023
Edited
by admin
on Sat Dec 16 10:12:31 UTC 2023
Record UNII
4WM5QUB9VQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FENOLDOPAM HYDROCHLORIDE, (R)-
Common Name English
1H-3-BENZAZEPINE-7,8-DIOL, 6-CHLORO-2,3,4,5-TETRAHYDRO-1-(4-HYDROXYPHENYL)-, HYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
FDA UNII
4WM5QUB9VQ
Created by admin on Sat Dec 16 10:12:31 UTC 2023 , Edited by admin on Sat Dec 16 10:12:31 UTC 2023
PRIMARY
CAS
125375-78-2
Created by admin on Sat Dec 16 10:12:31 UTC 2023 , Edited by admin on Sat Dec 16 10:12:31 UTC 2023
PRIMARY
PUBCHEM
67785816
Created by admin on Sat Dec 16 10:12:31 UTC 2023 , Edited by admin on Sat Dec 16 10:12:31 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER