THREOHYDROBUPROPION

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 Search

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 `Sat Dec 16 09:58:24 GMT 2023` Edited by `admin` on `Sat Dec 16 09:58:24 GMT 2023`
Record UNII	988C8SFV4F
Record Status	`Validated (UNII)`
Record Version

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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 Sat Dec 16 09:58:24 GMT 2023 , Edited by admin on Sat Dec 16 09:58:24 GMT 2023

PRIMARY

CAS

92264-82-9

Created by admin on Sat Dec 16 09:58:24 GMT 2023 , Edited by admin on Sat Dec 16 09:58:24 GMT 2023

PRIMARY

EPA CompTox

DTXSID70431488

Created by admin on Sat Dec 16 09:58:24 GMT 2023 , Edited by admin on Sat Dec 16 09:58:24 GMT 2023

PRIMARY

PUBCHEM

9834682

Created by admin on Sat Dec 16 09:58:24 GMT 2023 , Edited by admin on Sat Dec 16 09:58:24 GMT 2023

PRIMARY

Related Record Type Details


					01ZG3TPX31

BUPROPION

PARENT -> METABOLITE

Interaction Type:

MAJOR

Qualification:

PLASMA