PRADIGASTAT GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C31H32F3N3O8
Molecular Weight	631.5963
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC(=O)C[C@H]2CC[C@@H](CC2)C3=CC=C(C=C3)C4=NC=C(NC5=CN=C(C=C5)C(F)(F)F)C=C4)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=GUBAFVFKOYZHOJ-CYBOQQTKSA-N

InChI=1S/C31H32F3N3O8/c32-31(33,34)23-12-10-21(15-36-23)37-20-9-11-22(35-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(38)44-30-27(41)25(39)26(40)28(45-30)29(42)43/h5-12,14-17,25-28,30,37,39-41H,1-4,13H2,(H,42,43)/t16-,17-,25-,26-,27+,28-,30+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C31H32F3N3O8
Molecular Weight	631.5963
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:28:22 GMT 2025` Edited by `admin` on `Mon Mar 31 23:28:22 GMT 2025`
Record UNII	EG8451N155
Record Status	`Validated (UNII)`
Record Version

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Type

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PRADIGASTAT GLUCURONIDE

Preferred Name

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Code System Code Type Description

SMS_ID

100000183198

Created by admin on Mon Mar 31 23:28:22 GMT 2025 , Edited by admin on Mon Mar 31 23:28:22 GMT 2025

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FDA UNII

EG8451N155

Created by admin on Mon Mar 31 23:28:22 GMT 2025 , Edited by admin on Mon Mar 31 23:28:22 GMT 2025

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EVMPD

SUB197602

Created by admin on Mon Mar 31 23:28:22 GMT 2025 , Edited by admin on Mon Mar 31 23:28:22 GMT 2025

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