GEMCITABINE ELAIDATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 231C73W7LG

Structure
InChI Key HESSNRGIEVBPRB-QDDPNBLJSA-N
Smile CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
InChI
InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H43F2N3O5
Molecular Weight 527.65
AlogP 5.3
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 18.0
Polar Surface Area 116.67
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 37.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3039516
DrugBank DB12564
EPA CompTox DTXSID00175308
FDA SRS 231C73W7LG
PubChem 9828310
SureChEMBL SCHEMBL582034
ZINC ZINC000014208575
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