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Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO2.H2O4S
Molecular Weight 293.3382
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETERENOL SULFATE

SMILES

CC(C)NCC(c1ccc(cc1)O)O.OS(=O)(=O)O

InChI

InChIKey=AUABGEHAIQCKJX-UHFFFAOYSA-N
InChI=1S/C11H17NO2.H2O4S/c1-8(2)12-7-11(14)9-3-5-10(13)6-4-9;1-5(2,3)4/h3-6,8,11-14H,7H2,1-2H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C11H17NO2
Molecular Weight 195.2586
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula H2O4S
Molecular Weight 98.0796
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Targets

Targets

Primary TargetPharmacologyConditionPotency
4270.0 nM [Kd]
Substance Class Chemical
Created
by admin
on Sat Jun 26 16:07:17 UTC 2021
Edited
by admin
on Sat Jun 26 16:07:17 UTC 2021
Record UNII
44HG434C0S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETERENOL SULFATE
Common Name English
ISOPROPYLNORSYNEPHRINE SULFATE
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, SULFATE (1:1)
Systematic Name English
BENZYL ALCOHOL, P-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)-, SULFATE (SALT)
Common Name English
BENZENEMETHANOL, 4-HYDROXY-.ALPHA.-(((1-METHYLETHYL)AMINO)METHYL)-, SULFATE (1:1) (SALT)
Common Name English
BENZYL ALCOHOL, P-HYDROXY-.ALPHA.-((ISOPROPYLAMINO)METHYL)-, SULFATE
Common Name English
Code System Code Type Description
CAS
7104-41-8
Created by admin on Sat Jun 26 16:07:17 UTC 2021 , Edited by admin on Sat Jun 26 16:07:17 UTC 2021
PRIMARY
FDA UNII
44HG434C0S
Created by admin on Sat Jun 26 16:07:17 UTC 2021 , Edited by admin on Sat Jun 26 16:07:17 UTC 2021
PRIMARY
PUBCHEM
126961348
Created by admin on Sat Jun 26 16:07:17 UTC 2021 , Edited by admin on Sat Jun 26 16:07:17 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY