BICIFADINE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C12H15N
Molecular Weight	173.2542
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BICIFADINE

Structure Search

SMILES

[H][C@]12C[C@]1(CNC2)C3=CC=C(C)C=C3

InChI

InChIKey=OFYVIGTWSQPCLF-NEPJUHHUSA-N

InChI=1S/C12H15N/c1-9-2-4-10(5-3-9)12-6-11(12)7-13-8-12/h2-5,11,13H,6-8H2,1H3/t11-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C12H15N
Molecular Weight	173.2542
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 16:50:41 UTC 2023` Edited by `admin` on `Sat Dec 16 16:50:41 UTC 2023`
Record UNII	B0SV3N7J3H
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

BICIFADINE

Official Name

English

(±)-1-P-TOLYL-3-AZABICYCLO(3.1.0)HEXANE

Common Name

English

3-AZABICYCLO(3.1.0)HEXANE, 1-(4-METHYLPHENYL)-, (±)-

Systematic Name

English

bicifadine [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

Code System Code Type Description

INN

4814

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

PRIMARY

EPA CompTox

DTXSID20867995

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

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ChEMBL

CHEMBL511099

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

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FDA UNII

B0SV3N7J3H

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

PRIMARY

PUBCHEM

24768032

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

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MESH

C034438

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

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NCI_THESAURUS

C79930

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

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SMS_ID

100000085898

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

PRIMARY

EVMPD

SUB05818MIG

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

PRIMARY

DRUG BANK

DB04889

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

PRIMARY

CAS

71195-57-8

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

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WIKIPEDIA

BICIFADINE

Created by admin on Sat Dec 16 16:50:43 UTC 2023 , Edited by admin on Sat Dec 16 16:50:43 UTC 2023

PRIMARY

Related Record Type Details


					OE6G20P68T

BICIFADINE HYDROCHLORIDE

SALT/SOLVATE -> PARENT


					8E4LAA4357

CYTOCHROME P450 2D6

METABOLIC ENZYME -> SUBSTRATE


					B0SV3N7J3H

EXCRETED UNCHANGED

Qualification:

FECAL; URINE

Amount:


					P470K5WJ59

BICIFADINE, (+)-

ENANTIOMER -> RACEMATE


					5P6PXH4ZEK

BICIFADINE, (-)-

ENANTIOMER -> RACEMATE

Related Record Type Details


					TW203MZ0GV

BICIFADINE CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					C14DZ658HT

BICIFADINE LACTAM ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					TW203MZ0GV

BICIFADINE CARBOXYLIC ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

PLASMA


					P1B6ON57VP

BICIFADINE ACYL GLUCURONIDE

METABOLITE -> PARENT

Comments:

Combined with acid metabolite accounted for another 22.4% of the dose

Qualification:

URINE

Amount:


					C14DZ658HT

BICIFADINE LACTAM ACID

METABOLITE -> PARENT

Interaction Type:

MAJOR

Qualification:

URINE

Amount:


					TW203MZ0GV

BICIFADINE CARBOXYLIC ACID

METABOLITE -> PARENT

Qualification:

FECAL

Amount:


					VGL5Q49BR6

BICIFADINE LACTAM ACYL GLUCURONIDE

METABOLITE -> PARENT

Qualification:

URINE

Amount:


					R23IU83EOL

BICIFADINE LACTAM

METABOLITE -> PARENT

Comments:

Neither unchanged bicifadine nor M12 were detected in urine or feces

Interaction Type:

MAJOR

Qualification:

PLASMA

Related Record Type Details


					B0SV3N7J3H

ACTIVE MOIETY

Name	Property Type	Amount	Referenced Substance	Defining	Parameters	References
Biological Half-life	PHARMACOKINETIC				ORAL ADMINISTRATION SINGLE DOSE

Tmax	PHARMACOKINETIC				SINGLE DOSE ORAL ADMINISTRATION