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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

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

Molecular Formula C31H30N4O10
Molecular Weight 618.5907
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 14:57:08 GMT 2023
Edited
by admin
on Sat Dec 16 14:57:08 GMT 2023
Record UNII
V8MUP646ZN
Record Status Validated (UNII)
Record Version
  • Download
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
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
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