Sophoramine

CAT: 0926-FS65884-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-FS65884-01Size:10 mg

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CAS Number

6882-66-2

MDL Number

MFCD01632128

Smiles

C1C[C@H]2CN3C (=O) C=CC=C3[C@@H]4[C@H]2N (C1) CCC4

Molecular Formula

C15H20N2O

Molecular Weight

244.33 g/mol

Controlled

Chemical Information

(-)-Sophoramine

Sophoramine is a naphthyridine derivative.

CAS Number	6882-66-2
PubChem CID	169014
IUPAC Name	(1S,9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4-dien-6-one
Molecular Formula	C15H20N2O
Molecular Weight	244.33
XLogP	1.6
Topological Polar Surface Area	23.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	440

SMILES

C1C[C@H]2CN3C(=O)C=CC=C3[C@@H]4[C@H]2N(C1)CCC4

InChI

InChI=1S/C15H20N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h1,6-7,11-12,15H,2-5,8-10H2/t11-,12+,15-/m0/s1

InChIKey

MMCQRJPAMIHLQX-ZOWXZIJZSA-N

Chemical Structure

2D Structure

CAS: 6882-66-2

CID: 169014

Formula: C15H20N2O

MW: 244.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	244.33
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	244.157563266
Monoisotopic Mass	244.157563266
Topological Polar Surface Area	23.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	440
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

Catalog	Name
FS65812-01	Sophoridine
FS177834-01	Sophoranone

Catalog	Name
TBZ0873	Sophoramine