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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H22ClN
Molecular Weight 251.795
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIDESMETHYLSIBUTRAMINE, (R)-

SMILES

CC(C)C[C@@H](N)C1(CCC1)C2=CC=C(Cl)C=C2

InChI

InChIKey=WQSACWZKKZPCHN-CQSZACIVSA-N
InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3/t14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H22ClN
Molecular Weight 251.795
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 Fri Dec 15 22:26:03 UTC 2023
Edited
by admin
on Fri Dec 15 22:26:03 UTC 2023
Record UNII
B408000HRV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIDESMETHYLSIBUTRAMINE, (R)-
Common Name English
CYCLOBUTANEMETHANAMINE, 1-(4-CHLOROPHENYL)-.ALPHA.-(2-METHYLPROPYL)-, (.ALPHA.R)-
Common Name English
R-(+)-DI-DESMETHYLSIBUTRAMINE
Common Name English
DIDESMETHYLSIBUTRAMINE, (+)-
Common Name English
(1R)-1-(1-(4-CHLOROPHENYL)CYCLOBUTYL)-3-METHYLBUTAN-1-AMINE
Systematic Name English
Code System Code Type Description
FDA UNII
B408000HRV
Created by admin on Fri Dec 15 22:26:03 UTC 2023 , Edited by admin on Fri Dec 15 22:26:03 UTC 2023
PRIMARY
EPA CompTox
DTXSID90177513
Created by admin on Fri Dec 15 22:26:03 UTC 2023 , Edited by admin on Fri Dec 15 22:26:03 UTC 2023
PRIMARY
PUBCHEM
9900576
Created by admin on Fri Dec 15 22:26:03 UTC 2023 , Edited by admin on Fri Dec 15 22:26:03 UTC 2023
PRIMARY
CAS
229639-56-9
Created by admin on Fri Dec 15 22:26:03 UTC 2023 , Edited by admin on Fri Dec 15 22:26:03 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER