O-Nornuciferine

CAT: 0926-DAA15355-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0926-DAA15355-01Size:1 mg

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CAS Number

3153-55-7

MDL Number

MFCD01664604

Smiles

CN1CCC2=CC (=C (C3=C2C1CC4=CC=CC=C43) OC) O

Molecular Formula

C18H19NO2

Molecular Weight

281.3 g/mol

Controlled

Chemical Information

(-)-Nornuciferine

O-Nornuciferine has been reported in Stephania cephalantha, Ziziphus jujuba, and other organisms with data available.

CAS Number	3153-55-7
PubChem CID	197017
IUPAC Name	(6aR)-1-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-2-ol
Molecular Formula	C18H19NO2
Molecular Weight	281.3
XLogP	2.6
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	387

SMILES

CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC=CC=C43)OC)O

InChI

InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(20)18(21-2)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1

InChIKey

AKXOIHNFHOEPHN-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 3153-55-7

CID: 197017

Formula: C18H19NO2

MW: 281.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	281.3
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	281.141578849
Monoisotopic Mass	281.141578849
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	387
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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Catalog	Name
MBS3613882-01	O-Nornuciferine
BA7279-5.1	N-Nornuciferine
M22767-01	N-Nornuciferine hydrochloride
BUP04601-01	N-Nornuciferine hydrochloride (4846-19-9 free base)