CASIMIROEDINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H27N3O6
Molecular Weight	417.4556
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN(CCC1=CN(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(=O)\C=C\C3=CC=CC=C3

InChI

InChIKey=CSFQQZOIHVWGMN-BBAXEOEJSA-N

InChI=1S/C21H27N3O6/c1-23(17(26)8-7-14-5-3-2-4-6-14)10-9-15-11-24(13-22-15)21-20(29)19(28)18(27)16(12-25)30-21/h2-8,11,13,16,18-21,25,27-29H,9-10,12H2,1H3/b8-7+/t16-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H27N3O6
Molecular Weight	417.4556
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:00:13 GMT 2023` Edited by `admin` on `Sat Dec 16 09:00:13 GMT 2023`
Record UNII	577E0U1P0H
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CASIMIROEDINE

Common Name

English

CINNAMAMIDE, N-(2-(1-.BETA.-D-GLUCOPYRANOSYLIMIDAZOL-4-YL)ETHYL)-N-METHYL-

Systematic Name

English

2-PROPENAMIDE, N-(2-(1-.BETA.-D-GLUCOPYRANOSYL-1H-IMIDAZOL-4-YL)ETHYL)-N-METHYL-3-PHENYL-, (2E)-

Systematic Name

English

NSC-140860

Code

English

CASIMIROEDINE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m104