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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, (R)-

SMILES

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

InChI

InChIKey=KTOGVIILDSYTNS-MERQFXBCSA-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-;/m0./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 C11H17NO2
Molecular Weight 195.2586
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 09:22:17 UTC 2021
Edited
by admin
on Sat Jun 26 09:22:17 UTC 2021
Record UNII
NIZ21G3DCF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL HYDROCHLORIDE, (R)-
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, HYDROCHLORIDE (1:1), (.ALPHA.R)-
Systematic Name English
Code System Code Type Description
PUBCHEM
53254664
Created by admin on Sat Jun 26 09:22:17 UTC 2021 , Edited by admin on Sat Jun 26 09:22:17 UTC 2021
PRIMARY
CAS
1291099-44-9
Created by admin on Sat Jun 26 09:22:17 UTC 2021 , Edited by admin on Sat Jun 26 09:22:17 UTC 2021
PRIMARY
FDA UNII
NIZ21G3DCF
Created by admin on Sat Jun 26 09:22:17 UTC 2021 , Edited by admin on Sat Jun 26 09:22:17 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER