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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H33N5O10
Molecular Weight 539.5356
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((7R,9AS)-7-(((3-CARBOXY-1-OXOPROPYL)AMINO)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZIN-2-YL)-5-PYRIMIDINYL

SMILES

[H][C@@]12CC[C@H](CNC(=O)CCC(O)=O)CN1CCN(C2)C3=NC=C(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C=N3

InChI

InChIKey=IOIWRHGWEYDQGJ-OPOVSHRXSA-N
InChI=1S/C23H33N5O10/c29-15(3-4-16(30)31)24-7-12-1-2-13-11-28(6-5-27(13)10-12)23-25-8-14(9-26-23)37-22-19(34)17(32)18(33)20(38-22)21(35)36/h8-9,12-13,17-20,22,32-34H,1-7,10-11H2,(H,24,29)(H,30,31)(H,35,36)/t12-,13+,17+,18+,19-,20+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H33N5O10
Molecular Weight 539.5356
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 Sat Dec 16 16:52:40 UTC 2023
Edited
by admin
on Sat Dec 16 16:52:40 UTC 2023
Record UNII
R4HJC6A38Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((7R,9AS)-7-(((3-CARBOXY-1-OXOPROPYL)AMINO)METHYL)OCTAHYDRO-2H-PYRIDO(1,2-A)PYRAZIN-2-YL)-5-PYRIMIDINYL
Systematic Name English
CP-93,393 METABOLITE M19
Common Name English
Code System Code Type Description
CAS
202518-38-5
Created by admin on Sat Dec 16 16:52:40 UTC 2023 , Edited by admin on Sat Dec 16 16:52:40 UTC 2023
PRIMARY
FDA UNII
R4HJC6A38Y
Created by admin on Sat Dec 16 16:52:40 UTC 2023 , Edited by admin on Sat Dec 16 16:52:40 UTC 2023
PRIMARY
PUBCHEM
154731626
Created by admin on Sat Dec 16 16:52:40 UTC 2023 , Edited by admin on Sat Dec 16 16:52:40 UTC 2023
PRIMARY
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