General Information of the Compound
Compound ID
CP0811517
Compound Name
Dextromethorphan HBr
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Synonyms
6700-34-1
9D2RTI9KYH
Chloraseptic DM
Dextromethorphan (hydrobromide hydrate)
Dextromethorphan hydrobromide
Dextromethorphan hydrobromide OROS Tablets
Dextromethorphan hydrobromide hydrate
Dextromethorphan hydrobromide monohydrate
Dextromethorphan+quinidine
Drixoral Cough
Drixoral Cough &amp
Endotussin-NN Pediatric
Hold
Methorate
PediaCare 1
Robitussin Cough Calmers
Robitussin Maximum Strength Cough
Robitussin Pediatric Cough
Romilar
Sore Throat
St. Joseph Cough Syrup
Tylenol Cough Liquid
UNII-9D2RTI9KYH
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Structure
Formula
C18H28BrNO2
Molecular Weight
370.331
Canonical SMILES
Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.O
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InChI
InChI=1S/C18H25NO.BrH.H2O/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18;;/h6-7,12,15,17H,3-5,8-11H2,1-2H3;1H;1H2/t15-,17+,18+;;/m1../s1
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InChIKey
STTADZBLEUMJRG-IKNOHUQMSA-N
CAS
6700-34-1
Physicochemical Property
logP
3.1366
Rotatable Bonds
1
Heavy Atom Count
22
Polar Areas
43.97
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
22

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 57515976
SID: 58095974
ChEMBL ID
CHEMBL1256818
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 25929 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Dextromethorphan+quinidine )
Drug Name Dextromethorphan+quinidine
Company Avanir
Indication
Diabetic neuropathy
Phase 2
Target(s)
Aromatase (CYP19A1)
 Target Info 
Inhibitor