Denufosol Free Base - CAS 211448-85-0

Denufosol Free Base is used for treatment of cystic fibrosis.

Catalog Number: I025890

CAS Number: 211448-85-0

Molecular Formula: C18H27N5O21P4

Molecular Weight:773.32

Purity: 98.0%

Appearance:Solid powder

* For research use only. Not for human or veterinary use.

Synonym

SynonymsDenufosol Free Base; INS3721; INS-3721; INS 3721

Property

Molecular Formula: C18H27N5O21P4
Molecular Weight773.32
SolubilityTo be determined
Purity98.0%
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Computed Descriptor

IUPAC NameP(1)-(Uridine 5')-P(4)-(2'-deoxycytidine 5')tetraphosphate, tetrasodium salt
InChIInChI=1S/C18H27N5O21P4/c19-11-1-3-22(17(28)20-11)13-5-8(24)9(40-13)6-38-45(30,31)42-47(34,35)44-48(36,37)43-46(32,33)39-7-10-14(26)15(27)16(41-10)23-4-2-12(25)21-18(23)29/h1-4,8-10,13-16,24,26-27H,5-7H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H2,19,20,28)(H,21,25,29)/t8-,9+,10+,13+,14+,15+,16+/m0/s1
InChIKeyFPNPSEMJLALQSA-MIYUEGBISA-N
SMILESNC1=NC(N([C@H]2C[C@@H]([C@H](O2)COP(O)(OP(O)(OP(O)(OP(O)(OC[C@H]3O[C@@H](N4C=CC(NC4=O)=O)[C@@H]([C@@H]3O)O)=O)=O)=O)=O)O)C=C1)=O