(+) -3-Methoxy-N-formylmorphinan

CAT: 1596-AR-D06055-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-D06055-01Size:10 Units

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CAS Number

28973-48-0

Synonyms

(4bS,8aR,9S) -3-Methoxy-6,7,8,8a,9,10-hexahydro-5H-9,4b- (epiminoethano) phenanthrene-11-carbaldehyde

Molecular Formula

C18H23NO2

Molecular Weight

285.38

API Name

Dextromethorphan

Chemical Information

(+)-3-Methoxy-N-formylmorphinan

CAS Number	28973-48-0
PubChem CID	13919029
IUPAC Name	(1S,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde
Molecular Formula	C18H23NO2
Molecular Weight	285.4
XLogP	2.9
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	412

SMILES

COC1=CC2=C(C[C@H]3[C@@H]4[C@]2(CCCC4)CCN3C=O)C=C1

InChI

InChI=1S/C18H23NO2/c1-21-14-6-5-13-10-17-15-4-2-3-7-18(15,16(13)11-14)8-9-19(17)12-20/h5-6,11-12,15,17H,2-4,7-10H2,1H3/t15-,17+,18+/m1/s1

InChIKey

FZNYYMPPLIJMRC-NJAFHUGGSA-N

Chemical Structure

2D Structure

CAS: 28973-48-0

CID: 13919029

Formula: C18H23NO2

MW: 285.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	285.4
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	285.172878976
Monoisotopic Mass	285.172878976
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	412
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	1
Compound Is Canonicalized	Yes

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