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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H21NO4.ClH
Molecular Weight 315.792
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

Cl.CC(C)(C)NC[C@@H](O)COC1=C2C(=O)OCC2=CC=C1

InChI

InChIKey=KTIQCDLYPPAYBF-RFVHGSKJSA-N
InChI=1S/C15H21NO4.ClH/c1-15(2,3)16-7-11(17)9-19-12-6-4-5-10-8-20-14(18)13(10)12;/h4-6,11,16-17H,7-9H2,1-3H3;1H/t11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C15H21NO4
Molecular Weight 279.3315
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 02:55:51 GMT 2023
Edited
by admin
on Sat Dec 16 02:55:51 GMT 2023
Record UNII
TRW465FDUH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AFUROLOL HYDROCHLORIDE, (R)-
Common Name English
1(3H)-ISOBENZOFURANONE, 7-(3-((1,1-DIMETHYLETHYL)AMINO)-2-HYDROXYPROPOXY)-, HYDROCHLORIDE, (R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
91800081
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
CAS
91853-76-8
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
FDA UNII
TRW465FDUH
Created by admin on Sat Dec 16 02:55:51 GMT 2023 , Edited by admin on Sat Dec 16 02:55:51 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER