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Details

Stereochemistry RACEMIC
Molecular Formula C13H20ClNO
Molecular Weight 241.757
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THREOHYDROBUPROPION

SMILES

C[C@H](NC(C)(C)C)[C@@H](O)C1=CC(Cl)=CC=C1

InChI

InChIKey=NDPTTXIBLSWNSF-JOYOIKCWSA-N
InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H20ClNO
Molecular Weight 241.757
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sun Dec 18 03:34:18 UTC 2022
Edited
by admin
on Sun Dec 18 03:34:18 UTC 2022
Record UNII
988C8SFV4F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THREOHYDROBUPROPION
Common Name English
THREOHYDROBUPROPION, (±)-
Common Name English
BENZENEMETHANOL, 3-CHLORO-.ALPHA.-((1R)-1-((1,1-DIMETHYLETHYL)AMINO)ETHYL)-, (.ALPHA.R)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
988C8SFV4F
Created by admin on Sun Dec 18 03:34:18 UTC 2022 , Edited by admin on Sun Dec 18 03:34:18 UTC 2022
PRIMARY
CAS
92264-82-9
Created by admin on Sun Dec 18 03:34:18 UTC 2022 , Edited by admin on Sun Dec 18 03:34:18 UTC 2022
PRIMARY
EPA CompTox
DTXSID70431488
Created by admin on Sun Dec 18 03:34:18 UTC 2022 , Edited by admin on Sun Dec 18 03:34:18 UTC 2022
PRIMARY
PUBCHEM
9834682
Created by admin on Sun Dec 18 03:34:18 UTC 2022 , Edited by admin on Sun Dec 18 03:34:18 UTC 2022
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
MAJOR
PLASMA