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Dextromethorphan Impurity 8

CAT: 1299-RM-D242008-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D242008-04Size:100 mg
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CAS Number
29144-31-8
Synonyms
(S) -1- (4-methoxybenzyl) -3,4,5,6,7,8-hexahydroisoquinoline-2 (1H) -carbaldehyde
Molecular Formula
C18H23NO2
Molecular Weight
285.38
Target Alternative Name
Dextromethorphan
Product Name Synonym
(S) -1- (4-methoxybenzyl) -3,4,5,6,7,8-hexahydroisoquinoline-2 (1H) -carbaldehyde

Chemical Information

(S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde
CAS Number29144-31-8
PubChem CID13919022
IUPAC Name(1S)-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline-2-carbaldehyde
Molecular FormulaC18H23NO2
Molecular Weight285.4
XLogP2.9
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity396
SMILES
COC1=CC=C(C=C1)C[C@H]2C3=C(CCCC3)CCN2C=O
InChI
InChI=1S/C18H23NO2/c1-21-16-8-6-14(7-9-16)12-18-17-5-3-2-4-15(17)10-11-19(18)13-20/h6-9,13,18H,2-5,10-12H2,1H3/t18-/m0/s1
InChIKey
XSOPBBOEINVWML-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of (S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde
CAS: 29144-31-8
CID: 13919022
Formula: C18H23NO2
MW: 285.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass285.172878976
Monoisotopic Mass285.172878976
Topological Polar Surface Area29.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity396
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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