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N-Nordextromethorphan Hydrochloride

CAT: 0572-TRC-N672500-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N672500-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1087-69-0
Synonyms
Dextromethorphan Hydrobromide Imp. A (EP); Dextromethorphan Imp. A (EP); ent-3-Methoxymorphinan Hydrochloride; Dextromethorphan Hydrobromide Imp. A (EP) as Hydrochloride; N-Desmethyldextromethorphan Hydrochloride; Dextromethorphan Hydrobromide Impurity A as Hydrochloride; Dextromethorphan Impurity A as Hydrochloride
Hazard Statement
Toxic if swallowed; UN number: UN2811; Packing Group: III
Purity
>95% (HPLC)
Smiles
Cl.COc1ccc2C[C@@H]3NCC[C@]4(CCCC[C@H]34)c2c1
Molecular Formula
C17 H23 N O . Cl H
Molecular Weight
293.83
InChI
InChI=1S/C17H23NO.ClH/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13;/h5-6,11,14,16,18H,2-4,7-10H2,1H3;1H/t14-,16+,17+;/m1./s1
Additionnal Information
IUPAC name: (9α,13α,14α)-3-Methoxymorphinan hydrochloride
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CAS Number1087-69-0
PubChem CID71751178
IUPAC Name(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
Molecular FormulaC17H24ClNO
Molecular Weight293.8
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity344
SMILES
COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3)C=C1.Cl
InChI
InChI=1S/C17H23NO.ClH/c1-19-13-6-5-12-10-16-14-4-2-3-7-17(14,8-9-18-16)15(12)11-13;/h5-6,11,14,16,18H,2-4,7-10H2,1H3;1H/t14-,16+,17+;/m1./s1
InChIKey
IBNAJETZECTKHN-YPYJQMNVSA-N
Chemical Structure
2D Structure
2D structure of (1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene;hydrochloride
CAS: 1087-69-0
CID: 71751178
Formula: C17H24ClNO
MW: 293.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass293.1546421
Monoisotopic Mass293.1546421
Topological Polar Surface Area21.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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