Rivipansel sodiumProduct ingredient for Rivipansel

Name
Rivipansel sodium
Drug Entry
Rivipansel

Rivipansel has been used in trials studying the other, basic science, and treatment of Pain Crisis, Renal impairment, Anemia, Sickle Cell, Sickle Cell Disease, and Sickle Cell Disorders, among others.

Accession Number
DBSALT002408
Structure
Synonyms
Not Available
External IDs
GMI 1070 / GMI-1070 / PF-06460031-02 / PF-0646003102
UNII
11AEN6VWDN
CAS Number
1189037-60-2
Weight
Average: 1535.35
Monoisotopic: 1534.28384014
Chemical Formula
C58H70N6Na4O31S3
InChI Key
QQDCIMVGFXSAJH-DJFGCAFRSA-J
InChI
InChI=1S/C58H74N6O31S3.4Na/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87;;;;/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78);;;;/q;4*+1/p-4/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+;;;;/m0..../s1
IUPAC Name
tetrasodium (2S)-2-{[(2R,3R,4S,5S,6R)-3-(benzoyloxy)-2-{[(1R,2R,3S,5R)-3-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-amido)-2-{[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}-5-({2-[2-(2-{[(3,6,8-trisulfonatonaphthalen-1-yl)carbamoyl]methoxy}ethoxy)acetamido]ethyl}carbamoyl)cyclohexyl]oxy}-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-3-cyclohexylpropanoate
SMILES
[Na+].[Na+].[Na+].[Na+].[H][C@@](CC1CCCCC1)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2C[C@@H](C[C@H](NC(=O)C3=CC(=O)NC(=O)N3)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)C(=O)NCCNC(=O)COCCOCC(=O)NC2=C3C(=CC(=C2)S([O-])(=O)=O)C=C(C=C3S([O-])(=O)=O)S([O-])(=O)=O)[C@@H]1OC(=O)C1=CC=CC=C1)C([O-])=O
ChemSpider
28540485
ChEMBL
CHEMBL3833316
Predicted Properties
PropertyValueSource
Water Solubility2.2 mg/mLALOGPS
logP1.36ALOGPS
logP-8.8Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)-3.1Chemaxon
pKa (Strongest Basic)-3.9Chemaxon
Physiological Charge-4Chemaxon
Hydrogen Acceptor Count30Chemaxon
Hydrogen Donor Count11Chemaxon
Polar Surface Area578.39 Å2Chemaxon
Rotatable Bond Count30Chemaxon
Refractivity335.84 m3·mol-1Chemaxon
Polarizability138.73 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon