PROXIBUTENE

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NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H27NO2
Molecular Weight	337.4553
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PROXIBUTENE

Structure Search

SMILES

CCC(=O)OC(CC1=CC=CC=C1)(C(=C)CN(C)C)C2=CC=CC=C2

InChI

InChIKey=QNYRJYLGBCLNFA-UHFFFAOYSA-N

InChI=1S/C22H27NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15H,2,5,16-17H2,1,3-4H3

HIDE SMILES / InChI

Molecular Formula	C22H27NO2
Molecular Weight	337.4553
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:06:37 GMT 2023` Edited by `admin` on `Fri Dec 15 16:06:37 GMT 2023`
Record UNII	7F228A0THI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROXIBUTENE

Official Name

English

3-BUTEN-2-OL, 3-((DIMETHYLAMINO)METHYL)-1,2-DIPHENYL-, PROPIONATE (ESTER)

Common Name

English

BA-40088

Code

English

BENZENEETHANOL, .ALPHA.-(1-((DIMETHYLAMINO)METHYL)ETHENYL)-.ALPHA.-PHENYL-, 1-PROPANOATE

Systematic Name

English

proxibutene [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

Code System Code Type Description

FDA UNII

7F228A0THI

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

PRIMARY

EVMPD

SUB10148MIG

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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ChEMBL

CHEMBL2104265

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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NCI_THESAURUS

C75072

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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CAS

14089-84-0

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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INN

2945

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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SMS_ID

100000080839

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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EPA CompTox

DTXSID00864467

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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PUBCHEM

191317

Created by admin on Fri Dec 15 16:06:37 GMT 2023 , Edited by admin on Fri Dec 15 16:06:37 GMT 2023

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Related Record Type Details


					7F228A0THI

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