RP-112402

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H19NO9
Molecular Weight	381.3341
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C#N

InChI

InChIKey=MGQDEESJFNUGHN-LHLGERLTSA-N

InChI=1S/C17H19NO9/c1-7(2)25-10-4-3-8(5-9(10)6-18)16(24)27-17-13(21)11(19)12(20)14(26-17)15(22)23/h3-5,7,11-14,17,19-21H,1-2H3,(H,22,23)/t11-,12-,13+,14-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C17H19NO9
Molecular Weight	381.3341
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:54:32 GMT 2023` Edited by `admin` on `Sat Dec 16 16:54:32 GMT 2023`
Record UNII	5E7W4212YT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

RP-112402

Code

English

(2S,3S,4S,5R,6S)-6-(3-CYANO-4-ISOPROPOXY-BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

RP112402

Code

English

Code System Code Type Description

FDA UNII

5E7W4212YT

Created by admin on Sat Dec 16 16:54:32 GMT 2023 , Edited by admin on Sat Dec 16 16:54:32 GMT 2023

PRIMARY

PUBCHEM

154585051

Created by admin on Sat Dec 16 16:54:32 GMT 2023 , Edited by admin on Sat Dec 16 16:54:32 GMT 2023

PRIMARY

Related Record Type Details


					Z80293URPV

OZANIMOD

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

URINE