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Dextromethorphan Hydrobromide Hydrate

CAT: 0013-GTR19153186-03Size: 50 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19153186-03Size:50 g
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Description
Dextromethorphan Hydrobromide Hydrate (also known as () -3-Methoxy-N-methylmorphinon; delta-Methorphan; CAS number: 6700-34-1) is a compound with a molecular weight of 370.3 Da and a purity of ≥98%.
CAS Number
6700-34-1
Product Name Alternative
() -3-Methoxy-N-methylmorphinon; delta-Methorphan
Field of Research
Pharmacology & Drug Discovery
Purity
≥98%
Solubility
Soluble in water (15 mg/mL) .
Smiles
CN1CCC23CCCCC2C1CC4=C3C=C (C=C4) OC.O.Br
Molecular Formula
C18H25NO HBr H2O
Molecular Weight
370.3
Storage Conditions
Storage Temp: Ambient
Notes
For research use only.
Applications Notes
White powder
Other Product Names
D- (+) -3-methoxy-17-methyl- (9α,13α,14α) - morphinan

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...
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