BUTACLAMOL

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H31NO
Molecular Weight	361.5197
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTACLAMOL

Structure Search

SMILES

[H][C@]12C[C@](O)(CCN1C[C@]3([H])C4=CC=CC=C4CCC5=CC=CC2=C35)C(C)(C)C

InChI

InChIKey=ZZJYIKPMDIWRSN-TZBSWOFLSA-N

InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H31NO
Molecular Weight	361.5197
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:28 UTC 2023` Edited by `admin` on `Fri Dec 15 16:10:28 UTC 2023`
Record UNII	A7A2802VNL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTACLAMOL

Official Name

English

butaclamol [INN]

Common Name

English

1H-BENZO(6,7)CYCLOHEPTA(1,2,3-DE)-PYRIDO(2,1-A)ISOQUINOLIN-3-OL, 3-(1,1-DIMETHYLETHYL)-2,3,4,4A,8,9,13B,14-OCTAHYDRO-, (3.ALPHA.,4A.ALPHA.,13B.BETA.)-(±)-

Common Name

English

(±)-3.ALPHA.-TERT-BUTYL-2,3,4,4A.BETA.,8,9,13B.ALPHA.,14-OCTAHYDRO-1H-BENZO(6,7)-CYCLOHEPTA(1,2,3-DE)PYRIDO(2,1-A)ISOQUINOLIN-3-OL

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C66883

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

Code System Code Type Description

WIKIPEDIA

Butaclamol

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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SMS_ID

100000088474

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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EPA CompTox

DTXSID5048429

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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INN

3478

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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NCI_THESAURUS

C81088

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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EVMPD

SUB05995MIG

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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MESH

D002069

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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CAS

36504-93-5

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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FDA UNII

A7A2802VNL

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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CHEBI

73298

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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PUBCHEM

37461

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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ChEMBL

CHEMBL8514

Created by admin on Fri Dec 15 16:10:28 UTC 2023 , Edited by admin on Fri Dec 15 16:10:28 UTC 2023

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D(2) DOPAMINE RECEPTOR

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Comments:

Binding Assay

Qualification:

IC50

Amount:


					8TUG8SF12T

BUTACLAMOL HYDROCHLORIDE

SALT/SOLVATE -> PARENT

Amount:

Related Record Type Details


					A7A2802VNL

ACTIVE MOIETY

Amount: