(2S,3S,4S,5R,6S)-6-(3-(3-((2Z)-2-(1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-PYRAZOL-4-YLIDENE)HYDRAZINO)-2-HYDROXY-PHENYL)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H30N4O10
Molecular Weight	618.5907
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of (2S,3S,4S,5R,6S)-6-(3-(3-((2Z)-2-(1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-PYRAZOL-4-YLIDENE)HYDRAZINO)-2-HYDROXY-PHENYL)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Structure Search

SMILES

CC1=NN(C(=O)\C1=N/NC2=C(O)C(=CC=C2)C3=CC(=CC=C3)C(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C5=CC=C(C)C(C)=C5

InChI

InChIKey=UNSYUBZNXLCBLZ-BOZCTBTGSA-N

InChI=1S/C31H30N4O10/c1-14-10-11-19(12-15(14)2)35-28(40)22(16(3)34-35)33-32-21-9-5-8-20(23(21)36)17-6-4-7-18(13-17)30(43)45-31-26(39)24(37)25(38)27(44-31)29(41)42/h4-13,24-27,31-32,36-39H,1-3H3,(H,41,42)/b33-22-/t24-,25-,26+,27-,31-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

(2S,3S,4S,5R,6S)-6-(3-(3-((2Z)-2-(1-(3,4-DIMETHYLPHENYL)-3-METHYL-5-OXO-PYRAZOL-4-YLIDENE)HYDRAZINO)-2-HYDROXY-PHENYL)BENZOYL)OXY-3,4,5-TRIHYDROXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

ELTROMBOPAG METABOLITE M2

Common Name

English

Code System Code Type Description

FDA UNII

V8MUP646ZN

Created by admin on Sat Dec 16 14:57:09 GMT 2023 , Edited by admin on Sat Dec 16 14:57:09 GMT 2023

PRIMARY

CAS

1396009-05-4