VENRITIDINE

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H26N4O3S
Molecular Weight	378.489
Optical Activity	( + / - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3([H])C[C@@]1([H])[C@@]2([H])[C@]3([H])NCC4=CC=C(CSCCN\C(NC)=C/[N+]([O-])=O)O4

InChI

InChIKey=NIEBFIZWKXFMDD-BDFGZMOYSA-N

InChI=1S/C18H26N4O3S/c1-19-16(9-22(23)24)20-4-5-26-10-13-3-2-12(25-13)8-21-18-11-6-14-15(7-11)17(14)18/h2-3,9,11,14-15,17-21H,4-8,10H2,1H3/b16-9-/t11-,14+,15-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H26N4O3S
Molecular Weight	378.489
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800001980

Venritidine [D 16637] is an H2-antagonist which appears to undergo phase I clinical trials in the United Kingdom and preclinical investigation in Germany as a gastric ulcer treatment.

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:19:42 GMT 2023` Edited by `admin` on `Sat Dec 16 16:19:42 GMT 2023`
Record UNII	5U348610L6
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VENRITIDINE

Official Name

English

venritidine [INN]

Common Name

English

(±)-(Z)-N-METHYL-2-NITRO-N'-(2-((5-((TRICYCLO(2.2.1.O(SUP 2,6))HEPT-3-YLAMINO)METHYL)FURFURYL)THIO)ETHYL)-1,1-ETHENEDIAMINE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C29702