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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H13NO3.ClH
Molecular Weight 219.6656
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RACEPINEFRINE HYDROCHLORIDE, (S)-

SMILES

CNC[C@]([H])(c1ccc(c(c1)O)O)O.Cl

InChI

InChIKey=ATADHKWKHYVBTJ-SBSPUUFOSA-N
InChI=1S/C9H13NO3.ClH/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;/h2-4,9-13H,5H2,1H3;1H/t9-;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13NO3
Molecular Weight 183.2048
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:08:47 UTC 2021
Edited
by admin
on Sat Jun 26 16:08:47 UTC 2021
Record UNII
PUV7QM78IU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RACEPINEFRINE HYDROCHLORIDE, (S)-
Common Name English
1,2-BENZENEDIOL, 4-((1S)-1-HYDROXY-2-(METHYLAMINO)ETHYL)-, HYDROCHLORIDE
Systematic Name English
1,2-BENZENEDIOL, 4-(1-HYDROXY-2-(METHYLAMINO)ETHYL)-, HYDROCHLORIDE, (S)-
Common Name English
Code System Code Type Description
PUBCHEM
23616803
Created by admin on Sat Jun 26 16:08:47 UTC 2021 , Edited by admin on Sat Jun 26 16:08:47 UTC 2021
PRIMARY
CAS
52134-32-4
Created by admin on Sat Jun 26 16:08:47 UTC 2021 , Edited by admin on Sat Jun 26 16:08:47 UTC 2021
PRIMARY
FDA UNII
PUV7QM78IU
Created by admin on Sat Jun 26 16:08:47 UTC 2021 , Edited by admin on Sat Jun 26 16:08:47 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER