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Dextromethorphan hydrobromide monohydrate

CAT: 0926-FD11997-04Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-FD11997-04Size:100 g
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CAS Number
6700-34-1
Synonyms
(9S,13S,14S) -3-Methoxy-17-methylmorphinan hydrobromide monohydrate
MDL Number
MFCD02173901
Smiles
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C (C=C4) OC.O.Br
Molecular Formula
C18H25NO•HBr•H2O
Molecular Weight
370.32 g/mol
Controlled
Yes

Chemical Information

Dextromethorphan hydrobromide monohydrate

Dextromethorphan hydrobromide is the hydrobromide and monohydrate of the antitussive drug dextromethorphan. It is a hydrate and a hydrobromide. It contains a dextromethorphan.

CAS Number6700-34-1
PubChem CID5462351
IUPAC Name(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrate;hydrobromide
Molecular FormulaC18H28BrNO2
Molecular Weight370.3
Topological Polar Surface Area13.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity370
SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.O.Br
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
InChIKey
STTADZBLEUMJRG-IKNOHUQMSA-N
Chemical Structure
2D Structure
2D structure of Dextromethorphan hydrobromide monohydrate
CAS: 6700-34-1
CID: 5462351
Formula: C18H28BrNO2
MW: 370.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass369.13034
Monoisotopic Mass369.13034
Topological Polar Surface Area13.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity370
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-D299455-1GDextromethorphan Hydrobromide Monohydrate
271034-01Dextromethorphan hydrobromide monohydrate discontinued
sc-204716BDextromethorphan Hydrobromide
CS-T-52349Dextromethorphan D3 Hydrobromide
2912-50Dextromethorphan (hydrobromide hydrate)
TRC-D299456-50MGDextromethorphan-d3 Hydrobromide
446457-01Dextromethorphan Hydrobromide discontinued
GTR19153186-01Dextromethorphan Hydrobromide Hydrate
M15560Dextromethorphan HBr monohydrate
CS-T-88994Dextromethorphan-d3 Hydrobromide hydrate

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