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Substance Name: N4-((Diisopropylamino)methylene)-2',3'-dideoxycytidine
RN: 141043-80-3
InChIKey: VILGAGMUNYUTFS-GEULNSMQSA-N

Note

  • A lipophilic prodrug derivative of the anti-HIV drug dideoxycytidine.

Molecular Formula

  • C16-H26-N4-O3

Molecular Weight

  • 322.406
 
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Names and Synonyms

Name of Substance

  • N4-((Diisopropylamino)methylene)-2',3'-dideoxycytidine

Synonym

  • Ipmddc

Systematic Name

  • Cytidine, N-((bis(1-methylethyl)amino)methylene)-2',3'-dideoxy-

Registry Numbers

CAS Registry Number

  • 141043-80-3

System Generated Number

  • 0141043803

Structure Descriptors

InChI

1S/C16H26N4O3/c1-11(2)20(12(3)4)10-17-14-7-8-19(16(22)18-14)15-6-5-13(9-21)23-15/h7-8,10-13,15,21H,5-6,9H2,1-4H3/b17-10+/t13-,15+/m0/s1

InChIKey

VILGAGMUNYUTFS-GEULNSMQSA-N

Smiles

O=c1n([C@@H]2O[C@H](CO)CC2)ccc(\N=C\N(C(C)C)C(C)C)n1

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.72 (none)   EXP
Water Solubility 2200 mg/L 25 EST
Vapor Pressure 3.42E-10 mm Hg 25 EST
Henry's Law Constant 1.16E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.11E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.