Corynoxidine

CAT: 0926-HCA90685-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HCA90685-02Size:50 mg

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CAS Number

57906-85-1

Smiles

COC1=C (C2=C (CC3C4=CC (=C (C=C4CC[N+]3 (C2) [O-]) OC) OC) C=C1) OC

Molecular Formula

C21H25NO5

Molecular Weight

371.4 g/mol

Controlled

Chemical Information

Corynoxidine

Corynoxidine has been reported in Corydalis balansae, Corydalis speciosa, and Stephania rotunda with data available.

CAS Number	57906-85-1
PubChem CID	21589010
IUPAC Name	(7S,13aS)-2,3,9,10-tetramethoxy-7-oxido-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium
Molecular Formula	C21H25NO5
Molecular Weight	371.4
XLogP	2.7
Topological Polar Surface Area	55
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	519

SMILES

COC1=C(C2=C(C[C@H]3C4=CC(=C(C=C4CC[N@@+]3(C2)[O-])OC)OC)C=C1)OC

InChI

InChI=1S/C21H25NO5/c1-24-18-6-5-13-9-17-15-11-20(26-3)19(25-2)10-14(15)7-8-22(17,23)12-16(13)21(18)27-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-,22-/m0/s1

InChIKey

QYEMUDHNCZHUKC-JTSKRJEESA-N

Chemical Structure

2D Structure

CAS: 57906-85-1

CID: 21589010

Formula: C21H25NO5

MW: 371.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	371.4
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	371.17327290
Monoisotopic Mass	371.17327290
Topological Polar Surface Area	55 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	519
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes