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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H20N4O3
Molecular Weight 285.3537
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PCS-499

SMILES

[2H]C([2H])([2H])[C@H](O)C([2H])([2H])CCCN1C(=O)N(C)C2=C(N(C)C=N2)C1=O

InChI

InChIKey=NSMXQKNUPPXBRG-WHPHVCHMSA-N
InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m0/s1/i1D3,6D2

HIDE SMILES / InChI

Molecular Formula C13H20N4O3
Molecular Weight 285.3537
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:50:09 GMT 2023
Edited
by admin
on Sat Dec 16 08:50:09 GMT 2023
Record UNII
FLV771E8ZV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PCS-499
Code English
DEUTERATED S-LISOFYLLINE
Common Name English
PCS499
Code English
CTP-499
Code English
3,7-DIHYDRO-1-((5S)-5-HYDROXYHEXYL-4,4,6,6,6-D5)-3,7-DIMETHYL-1H-PURINE-2,6-DIONE
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1-((5S)-5-HYDROXYHEXYL-4,4,6,6,6-D5)-3,7-DIMETHYL-
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 640918
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
Code System Code Type Description
PUBCHEM
51041322
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
PRIMARY
FDA UNII
FLV771E8ZV
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
PRIMARY
DRUG BANK
DB15122
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
PRIMARY
CAS
1268605-91-9
Created by admin on Sat Dec 16 08:50:09 GMT 2023 , Edited by admin on Sat Dec 16 08:50:09 GMT 2023
PRIMARY
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