ACEFURTIAMINE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H24N4O7S
Molecular Weight	476.503
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)OCC(=O)OCCC(SC(=O)C1=CC=CO1)=C(C)N(CC2=CN=C(C)N=C2N)C=O

InChI

InChIKey=MYBUGVXNAHWTOL-QGOAFFKASA-N

InChI=1S/C21H24N4O7S/c1-13(25(12-26)10-16-9-23-14(2)24-20(16)22)18(33-21(29)17-5-4-7-30-17)6-8-31-19(28)11-32-15(3)27/h4-5,7,9,12H,6,8,10-11H2,1-3H3,(H2,22,23,24)/b18-13+

HIDE SMILES / InChI

Molecular Formula	C21H24N4O7S
Molecular Weight	476.503
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Description
Sources: https://books.google.ru/books?id=0vXTBwAAQBAJ&pg=PA2&lpg=PA2&dq=ACEFURTIAMINE retrieved from The Dictionary of Drugs: Chemical Data. Chemical Data, Structures and Bibliographies. Editors: Elks, J. (Ed.), p. 2

Acefurtiamine is a vitamin B1 analog. It is as an analgesic.

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:28:07 GMT 2023` Edited by `admin` on `Fri Dec 15 15:28:07 GMT 2023`
Record UNII	6APJ3D1308
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACEFURTIAMINE

Official Name

English

acefurtiamine [INN]

Common Name

English

S-ESTER OF THIO-2-FUROIC ACID WITH N-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-N-(4-HYDROXY-2-MERCAPTO-1-METHYL-1-BUTENYL)FORMAMIDE O-GLYCOLATE ACETATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C241