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Details

Stereochemistry RACEMIC
Molecular Formula 2C11H17N.H2O4S
Molecular Weight 424.597
Optical Activity ( + / - )
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of XYLOPROPAMINE SULFATE

SMILES

OS(O)(=O)=O.CC(N)CC1=CC=C(C)C(C)=C1.CC(N)CC2=CC=C(C)C(C)=C2

InChI

InChIKey=JUEMAIYCXHJGDQ-UHFFFAOYSA-N
InChI=1S/2C11H17N.H2O4S/c2*1-8-4-5-11(6-9(8)2)7-10(3)12;1-5(2,3)4/h2*4-6,10H,7,12H2,1-3H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C11H17N
Molecular Weight 163.2594
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.85 null [pIC50]
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:24:52 GMT 2023
Edited
by admin
on Fri Dec 15 15:24:52 GMT 2023
Record UNII
B464QNG39U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
XYLOPROPAMINE SULFATE
Common Name English
3,4-DIMETHYLPHENISOPROPYLAMINE SULFATE
Common Name English
(±)-3,4-DIMETHYLPHENISOPROPYLAMINE SULFATE
Common Name English
3,4-DIMETHYLAMPHETAMINE SULFATE
Systematic Name English
XYLOPROPAMINE SULPHATE
Common Name English
Code System Code Type Description
PUBCHEM
26726
Created by admin on Fri Dec 15 15:24:52 GMT 2023 , Edited by admin on Fri Dec 15 15:24:52 GMT 2023
PRIMARY
FDA UNII
B464QNG39U
Created by admin on Fri Dec 15 15:24:52 GMT 2023 , Edited by admin on Fri Dec 15 15:24:52 GMT 2023
PRIMARY
CAS
14543-76-1
Created by admin on Fri Dec 15 15:24:52 GMT 2023 , Edited by admin on Fri Dec 15 15:24:52 GMT 2023
PRIMARY
ECHA (EC/EINECS)
238-579-9
Created by admin on Fri Dec 15 15:24:52 GMT 2023 , Edited by admin on Fri Dec 15 15:24:52 GMT 2023
PRIMARY
EPA CompTox
DTXSID60932590
Created by admin on Fri Dec 15 15:24:52 GMT 2023 , Edited by admin on Fri Dec 15 15:24:52 GMT 2023
PRIMARY
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ACTIVE MOIETY