BENZHYDROCODONE

Search structure
Synonyms:
Status: Approved (2018)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 75MS0AAZ9I

Structure
InChI Key VPMRSLWWUXNYRY-NDOYXKHWSA-N
Smile COc1ccc2c3c1O[C@H]1C(OC(=O)c4ccccc4)=CC[C@@H]4[C@@H](C2)N(C)CC[C@@]341
InChI
InChI=1S/C25H25NO4/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26/h3-8,10-11,17-18,23H,9,12-14H2,1-2H3/t17-,18-,23+,25+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25NO4
Molecular Weight 403.48
AlogP 3.72
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 48.0
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 30.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3137321
DrugBank DB15465
FDA SRS 75MS0AAZ9I
PubChem 49836084
ZINC ZINC000103297957
CONTENTS