BROMODIPHENHYDRAMINE

Search structure
Synonyms:
Status: Approved (1954)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: T032BI7727

Structure
InChI Key NUNIWXHYABYXKF-UHFFFAOYSA-N
Smile CN(C)CCOC(c1ccccc1)c1ccc(Br)cc1
InChI
InChI=1S/C17H20BrNO/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,12-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20BrNO
Molecular Weight 334.26
AlogP 4.12
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 12.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Cross References

Resources Reference
ChEBI 59177
ChEMBL CHEMBL1201245
DrugBank DB01237
DrugCentral 404
EPA CompTox DTXSID6022688
FDA SRS T032BI7727
Human Metabolome Database HMDB0015367
Guide to Pharmacology 7132
PharmGKB PA164760854
PubChem 2444
SureChEMBL SCHEMBL29806
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