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Details

Stereochemistry RACEMIC
Molecular Formula C23H30N5O10P
Molecular Weight 567.4856
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACYCLOVIR PRODRUG ((1-(4-(2,2-DIMETHYLPROPANOYLOXY)PHENYL)-3-METHOXY-3-OXO-PROPYL) HYDROGEN PHOSPHATE ESTER)

SMILES

COC(=O)CC(OP(O)(=O)OCCOCN1C=NC2=C1N=C(N)NC2=O)C3=CC=C(OC(=O)C(C)(C)C)C=C3

InChI

InChIKey=ZAJVIYOGEVWVKW-UHFFFAOYSA-N
InChI=1S/C23H30N5O10P/c1-23(2,3)21(31)37-15-7-5-14(6-8-15)16(11-17(29)34-4)38-39(32,33)36-10-9-35-13-28-12-25-18-19(28)26-22(24)27-20(18)30/h5-8,12,16H,9-11,13H2,1-4H3,(H,32,33)(H3,24,26,27,30)

HIDE SMILES / InChI

Molecular Formula C23H30N5O10P
Molecular Weight 567.4856
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:57:04 GMT 2023
Edited
by admin
on Sat Dec 16 13:57:04 GMT 2023
Record UNII
Y5505C4MYD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACYCLOVIR PRODRUG ((1-(4-(2,2-DIMETHYLPROPANOYLOXY)PHENYL)-3-METHOXY-3-OXO-PROPYL) HYDROGEN PHOSPHATE ESTER)
Common Name English
ACYCLOVIR PRODRUG (METHYL 3-HYDROXY-3-(4-(2,2,2-TRIMETHYLACETOXY)-PHENYL)PROPIONATE HYDROGEN PHOSPHATE ESTER)
Common Name English
BENZENEPROPANOIC ACID, .BETA.-(((2-((2-AMINO-1,6-DIHYDRO-6-OXO-9H-PURIN-9-YL)METHOXY)ETHOXY)HYDROXYPHOSPHINYL)OXY)-4-(2,2-DIMETHYL-1-OXOPROPOXY)-, METHYL ESTER
Systematic Name English
Code System Code Type Description
PUBCHEM
135430998
Created by admin on Sat Dec 16 13:57:05 GMT 2023 , Edited by admin on Sat Dec 16 13:57:05 GMT 2023
PRIMARY
CAS
745779-15-1
Created by admin on Sat Dec 16 13:57:05 GMT 2023 , Edited by admin on Sat Dec 16 13:57:05 GMT 2023
PRIMARY
FDA UNII
Y5505C4MYD
Created by admin on Sat Dec 16 13:57:05 GMT 2023 , Edited by admin on Sat Dec 16 13:57:05 GMT 2023
PRIMARY
Related Record Type Details
METABOLITE ACTIVE -> PRODRUG