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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H23NO3.ClH
Molecular Weight 301.809
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CC(C)NC[C@H](O)COC1=C(OCC=C)C=CC=C1

InChI

InChIKey=COAJXCLTPGGDAJ-ZOWNYOTGSA-N
InChI=1S/C15H23NO3.ClH/c1-4-9-18-14-7-5-6-8-15(14)19-11-13(17)10-16-12(2)3;/h4-8,12-13,16-17H,1,9-11H2,2-3H3;1H/t13-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C15H23NO3
Molecular Weight 265.348
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 Dec 16 11:48:54 GMT 2023
Edited
by admin
on Sat Dec 16 11:48:54 GMT 2023
Record UNII
F95QUZ5WZC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXPRENOLOL HYDROCHLORIDE, (S)-
Common Name English
2-PROPANOL, 1-((1-METHYLETHYL)AMINO)-3-(2-(2-PROPENYLOXY)PHENOXY)-, HYDROCHLORIDE, (S)-
Systematic Name English
(+)-1-(O-(ALLYLOXY)PHENOXY)-3-ISOPROPYLAMINO-2-PROPANOL HYDROCHLORIDE
Systematic Name English
(S)-(3-(2-(ALLYLOXY)PHENOXY)-2-HYDROXYPROPYL)ISOPROPYLAMMONIUM CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
198081
Created by admin on Sat Dec 16 11:48:54 GMT 2023 , Edited by admin on Sat Dec 16 11:48:54 GMT 2023
PRIMARY
ECHA (EC/EINECS)
249-491-5
Created by admin on Sat Dec 16 11:48:54 GMT 2023 , Edited by admin on Sat Dec 16 11:48:54 GMT 2023
PRIMARY
FDA UNII
F95QUZ5WZC
Created by admin on Sat Dec 16 11:48:54 GMT 2023 , Edited by admin on Sat Dec 16 11:48:54 GMT 2023
PRIMARY
CAS
29181-23-5
Created by admin on Sat Dec 16 11:48:54 GMT 2023 , Edited by admin on Sat Dec 16 11:48:54 GMT 2023
PRIMARY
EPA CompTox
DTXSID10951776
Created by admin on Sat Dec 16 11:48:54 GMT 2023 , Edited by admin on Sat Dec 16 11:48:54 GMT 2023
PRIMARY