Dextromethorphan HBr

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CAS Number

125-69-9

Synonyms

(4bS,8aS,9S) -3-methoxy-11-methyl-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthrene hydrobromide; (9?,13?,14?) -3-Methoxy-17-methylmorphinan3-Methoxy-17-methyl-9?,13?,14?-morphinan; (+) -3-Methoxy-17-methylmorphinan; (+) -Dextromethorphan; Ba 2666; DEX; Dextromethorphan; Nodex; d-Methorphan

Molecular Formula

C18H25NO. HBr

Molecular Weight

271.41 80.91

API Name

Dextromethorphan

Chemical Information

Dextromethorphan Hydrobromide

Dextromethorphan Hydrobromide is the hydrobromide salt form of dextromethorphan, a synthetic, methylated dextrorotary analogue of levorphanol, a substance related to codeine and a non-opioid derivate of morphine. Dextromethorphan exhibits antitussive activity and is devoid of analgesic or addictive property. This agent crosses the blood-brain-barrier and activates sigma opioid receptors on the cough center in the central nervous system, thereby suppressing the cough reflex.

CAS Number	125-69-9
PubChem CID	5464025
IUPAC Name	(1S,9S,10S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrobromide
Molecular Formula	C18H26BrNO
Molecular Weight	352.3
Topological Polar Surface Area	12.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	370

SMILES

CN1CC[C@@]23CCCC[C@@H]2[C@@H]1CC4=C3C=C(C=C4)OC.Br

InChI

InChI=1S/C18H25NO.BrH/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/t15-,17+,18+;/m1./s1

InChIKey

MISZALMBODQYFT-URVXVIKDSA-N

Chemical Structure

2D Structure

CAS: 125-69-9

CID: 5464025

Formula: C18H26BrNO

MW: 352.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	352.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	351.11978
Monoisotopic Mass	351.11978
Topological Polar Surface Area	12.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	370
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Dextromethorphan HBr

Chemical Information

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