DIBUPYRONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C16H22N3O4S.Na
Molecular Weight	375.418
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DIBUPYRONE

Structure Search

SMILES

[Na+].CC(C)CN(CS([O-])(=O)=O)C1=C(C)N(C)N(C1=O)C2=CC=CC=C2

InChI

InChIKey=CGTMEHPODKVIII-UHFFFAOYSA-M

InChI=1S/C16H23N3O4S.Na/c1-12(2)10-18(11-24(21,22)23)15-13(3)17(4)19(16(15)20)14-8-6-5-7-9-14;/h5-9,12H,10-11H2,1-4H3,(H,21,22,23);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C16H22N3O4S
Molecular Weight	352.429
Charge	-1
Count

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/5331184 | Hansch, C. et al (1990) Comprehensive Medicinal Chemistry: Cumulative subject index & drug compendium, page 442, retrieved from: https://books.google.ru/books?id=8wttAAAAMAAJ

Dibupyrone is an analgesic agent.

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:03:10 GMT 2023` Edited by `admin` on `Sat Dec 16 18:03:10 GMT 2023`
Record UNII	T99M8X4T54
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DIBUPYRONE

Official Name

English

SODIUM (ANTIPYRINYLISOBUTYLAMINO)METHANESULPHONATE

Common Name

English

SODIUM (ANTIPYRINYLISOBUTYLAMINO)METHANESULFONATE

Common Name

English

dibupyrone [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2356

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

Code System Code Type Description

SMS_ID

100000082910

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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EPA CompTox

DTXSID90883147

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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PUBCHEM

23663456

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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ChEMBL

CHEMBL2110642

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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NCI_THESAURUS

C77319

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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INN

2298

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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EVMPD

SUB07079MIG

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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CAS

1046-17-9

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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FDA UNII

T99M8X4T54

Created by admin on Sat Dec 16 18:03:10 GMT 2023 , Edited by admin on Sat Dec 16 18:03:10 GMT 2023

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