(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((E)-(((2E)-2-((5-METHOXY-1H-INDOL-3-YL)METHYLENE)HYDRAZINO)-(PENTYLAMINO)METHYLENE)AMINO)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H31N5O7
Molecular Weight	477.5108
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((E)-(((2E)-2-((5-METHOXY-1H-INDOL-3-YL)METHYLENE)HYDRAZINO)-(PENTYLAMINO)METHYLENE)AMINO)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CCCCCN\C(N\N=C\C1=CNC2=C1C=C(OC)C=C2)=N/[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=YNSCCYFJRFKNAM-CQHPDCDNSA-N

InChI=1S/C22H31N5O7/c1-3-4-5-8-23-22(26-20-18(30)16(28)17(29)19(34-20)21(31)32)27-25-11-12-10-24-15-7-6-13(33-2)9-14(12)15/h6-7,9-11,16-20,24,28-30H,3-5,8H2,1-2H3,(H,31,32)(H2,23,26,27)/b25-11+/t16-,17-,18+,19-,20+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((E)-(((2E)-2-((5-METHOXY-1H-INDOL-3-YL)METHYLENE)HYDRAZINO)-(PENTYLAMINO)METHYLENE)AMINO)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

TEGASEROD METABOLITE M45.3

Common Name

English

Code System Code Type Description

FDA UNII

GEO0WHY23Y

Created by admin on Sat Dec 16 15:17:25 GMT 2023 , Edited by admin on Sat Dec 16 15:17:25 GMT 2023

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PUBCHEM

146019367