(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((N-((E)-(5-METHOXY-1H-INDOL-3-YL)METHYLENEAMINO)CARBAMIMIDOYL)-PENTYL-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	1
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((N-((E)-(5-METHOXY-1H-INDOL-3-YL)METHYLENEAMINO)CARBAMIMIDOYL)-PENTYL-AMINO)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CCCCCN([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)C(=N)N\N=C\C2=CNC3=C2C=C(OC)C=C3

InChI

InChIKey=BBISNTJPABFHNL-CQHPDCDNSA-N

InChI=1S/C22H31N5O7/c1-3-4-5-8-27(20-18(30)16(28)17(29)19(34-20)21(31)32)22(23)26-25-11-12-10-24-15-7-6-13(33-2)9-14(12)15/h6-7,9-11,16-20,24,28-30H,3-5,8H2,1-2H3,(H2,23,26)(H,31,32)/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-((N-((E)-(5-METHOXY-1H-INDOL-3-YL)METHYLENEAMINO)CARBAMIMIDOYL)-PENTYL-AMINO)TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

TEGASEROD METABOLITE M43.2

Common Name

English

Code System Code Type Description

PUBCHEM

156613978

Created by admin on Sat Dec 16 15:15:54 GMT 2023 , Edited by admin on Sat Dec 16 15:15:54 GMT 2023

PRIMARY

FDA UNII

H93626M6ED

Created by admin on Sat Dec 16 15:15:54 GMT 2023 , Edited by admin on Sat Dec 16 15:15:54 GMT 2023

PRIMARY

PARENT (METABOLITE)


					458VC51857

TEGASEROD

SUBSTANCE RECORD


					H93626M6ED

(2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-((N-((E)-(5-METHOXY-1H-INDOL-3-YL)METHYLENEAMINO)CARBAMIMIDOYL)-PENTYL-AMINO)TETRAHYDROPYRAN-2-CARBOXYLIC ACID