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Details

Stereochemistry RACEMIC
Molecular Formula C23H29N5O10P.Na
Molecular Weight 589.4674
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) SODIUM PHOSPHATE ESTER)

SMILES

[Na+].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=QBBUKXAAHOTUOT-UHFFFAOYSA-M
InChI=1S/C23H30N5O10P.Na/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);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C23H29N5O10P
Molecular Weight 566.4776
Charge -1
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 Fri Dec 15 15:57:38 GMT 2023
Edited
by admin
on Fri Dec 15 15:57:38 GMT 2023
Record UNII
3VCZ577Y8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACYCLOVIR PRODRUG ((1-(4-(2,2-DIMETHYLPROPANOYLOXY)PHENYL)-3-METHOXY-3-OXO-PROPYL) SODIUM PHOSPHATE ESTER)
Common Name English
ACYCLOVIR PRODRUG (METHYL 3-HYDROXY-3-(4-(2,2,2-TRIMETHYLACETOXY)-PHENYL)PROPIONATE SODIUM PHOSPHATE ESTER)
Common Name English
Code System Code Type Description
PUBCHEM
137220376
Created by admin on Fri Dec 15 15:57:38 GMT 2023 , Edited by admin on Fri Dec 15 15:57:38 GMT 2023
PRIMARY
CAS
216006-17-6
Created by admin on Fri Dec 15 15:57:38 GMT 2023 , Edited by admin on Fri Dec 15 15:57:38 GMT 2023
PRIMARY
FDA UNII
3VCZ577Y8Y
Created by admin on Fri Dec 15 15:57:38 GMT 2023 , Edited by admin on Fri Dec 15 15:57:38 GMT 2023
PRIMARY