BENDAMUSTINE DODECYL ESTER

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 22C7JIO84O

Structure
InChI Key RJNURICEBYUKHL-UHFFFAOYSA-N
Smile CCCCCCCCCCCCOC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C
InChI
InChI=1S/C28H45Cl2N3O2/c1-3-4-5-6-7-8-9-10-11-12-22-35-28(34)15-13-14-27-31-25-23-24(16-17-26(25)32(27)2)33(20-18-29)21-19-30/h16-17,23H,3-15,18-22H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H45Cl2N3O2
Molecular Weight 526.59
AlogP 7.64
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 20.0
Polar Surface Area 47.36
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Neoplasms 1 D009369 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297425
FDA SRS 22C7JIO84O
SureChEMBL SCHEMBL15696736
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