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Dextromethorphan Impurity 30

CAT: 1299-RM-D242045-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242045-02Size:25 mg
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CAS Number
15676-23-0
Synonyms
(4bS,8aS,9S) -6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthren-3-ol
Molecular Formula
C16H21NO
Molecular Weight
243.35
Target Alternative Name
Dextromethorphan
Product Name Synonym
(4bS,8aS,9S) -6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthren-3-ol

Chemical Information

Nordextrorphan
CAS Number15676-23-0
PubChem CID11791385
IUPAC Name(1S,9S,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
Molecular FormulaC16H21NO
Molecular Weight243.34
XLogP2.6
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count18
Formal Charge0
Complexity331
SMILES
C1CC[C@]23CCN[C@H]([C@H]2C1)CC4=C3C=C(C=C4)O
InChI
InChI=1S/C16H21NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,15,17-18H,1-3,6-9H2/t13-,15+,16+/m1/s1
InChIKey
IYNWSQDZXMGGGI-KBMXLJTQSA-N
Chemical Structure
2D Structure
2D structure of Nordextrorphan
CAS: 15676-23-0
CID: 11791385
Formula: C16H21NO
MW: 243.34
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.34
XLogP32.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass243.162314293
Monoisotopic Mass243.162314293
Topological Polar Surface Area32.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity331
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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