BUTILFENIN

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22N2O5
Molecular Weight	322.3563
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BUTILFENIN

Structure Search

SMILES

CCCCC1=CC=C(NC(=O)CN(CC(O)=O)CC(O)=O)C=C1

InChI

InChIKey=XSYSSUAGVNOMCE-UHFFFAOYSA-N

InChI=1S/C16H22N2O5/c1-2-3-4-12-5-7-13(8-6-12)17-14(19)9-18(10-15(20)21)11-16(22)23/h5-8H,2-4,9-11H2,1H3,(H,17,19)(H,20,21)(H,22,23)

HIDE SMILES / InChI

Molecular Formula	C16H22N2O5
Molecular Weight	322.3563
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:07:51 UTC 2023` Edited by `admin` on `Fri Dec 15 16:07:51 UTC 2023`
Record UNII	QR6229817G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUTILFENIN

Official Name

English

GLYCINE, N-(2-((4-BUTYLPHENYL)AMINO)-2-OXOETHYL)-N-(CARBOXYMETHYL)-

Systematic Name

English

BUTILFENIN [USAN]

Common Name

English

((((P-BUTYLPHENYL)CARBAMOYL)METHYL)IMINO)DIACETIC ACID

Common Name

English

butilfenin [INN]

Common Name

English

P-BIDA

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C1937

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

Code System Code Type Description

INN

4605

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

PRIMARY

NCI_THESAURUS

C81066

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

PRIMARY

ECHA (EC/EINECS)

266-301-6

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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FDA UNII

QR6229817G

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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PUBCHEM

47894

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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EPA CompTox

DTXSID80216506

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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SMS_ID

100000088611

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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EVMPD

SUB06018MIG

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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ChEMBL

CHEMBL2104651

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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CAS

66292-52-2

Created by admin on Fri Dec 15 16:07:51 UTC 2023 , Edited by admin on Fri Dec 15 16:07:51 UTC 2023

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Related Record Type Details


					QR6229817G

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