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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H25N5O4
Molecular Weight 363.4115
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID

SMILES

[H][C@@]12CC[C@H](CNC(=O)CCC(O)=O)CN1CCN(C2)C3=NC=C(O)C=N3

InChI

InChIKey=DVDSFRGMSPVDAR-OLZOCXBDSA-N
InChI=1S/C17H25N5O4/c23-14-8-19-17(20-9-14)22-6-5-21-10-12(1-2-13(21)11-22)7-18-15(24)3-4-16(25)26/h8-9,12-13,23H,1-7,10-11H2,(H,18,24)(H,25,26)/t12-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H25N5O4
Molecular Weight 363.4115
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:25:55 GMT 2023
Edited
by admin
on Sat Dec 16 16:25:55 GMT 2023
Record UNII
TI5X55PD2R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXOBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 4-(((OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXO-, (7R-TRANS)-
Systematic Name English
CP-93,393 METABOLITE M6
Common Name English
BUTANOIC ACID, 4-((((7R,9AS)-OCTAHYDRO-2-(5-HYDROXY-2-PYRIMIDINYL)-2H-PYRIDO(1,2-A)PYRAZIN-7-YL)METHYL)AMINO)-4-OXO-
Systematic Name English
Code System Code Type Description
FDA UNII
TI5X55PD2R
Created by admin on Sat Dec 16 16:25:55 GMT 2023 , Edited by admin on Sat Dec 16 16:25:55 GMT 2023
PRIMARY
PUBCHEM
154731574
Created by admin on Sat Dec 16 16:25:55 GMT 2023 , Edited by admin on Sat Dec 16 16:25:55 GMT 2023
PRIMARY
CAS
202518-37-4
Created by admin on Sat Dec 16 16:25:55 GMT 2023 , Edited by admin on Sat Dec 16 16:25:55 GMT 2023
PRIMARY
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