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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H17NO2.ClH
Molecular Weight 231.7195
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)NC[C@]([H])(c1ccc(cc1)O)O.Cl

InChI

InChIKey=KTOGVIILDSYTNS-RFVHGSKJSA-N
InChI=1S/C11H17NO2.ClH/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9;/h3-6,8,11-14H,7H2,1-2H3;1H/t11-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C11H17NO2
Molecular Weight 195.2586
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.4609
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 Jun 26 09:22:15 UTC 2021
Edited
by admin
on Sat Jun 26 09:22:15 UTC 2021
Record UNII
42V0LNR6JP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL HYDROCHLORIDE, (S)-
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.S)-
Systematic Name English
Code System Code Type Description
FDA UNII
42V0LNR6JP
Created by admin on Sat Jun 26 09:22:15 UTC 2021 , Edited by admin on Sat Jun 26 09:22:15 UTC 2021
PRIMARY
PUBCHEM
76959354
Created by admin on Sat Jun 26 09:22:15 UTC 2021 , Edited by admin on Sat Jun 26 09:22:15 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER