Isotetrandrine 50mg

CAT: 0628-A13411-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A13411-50Size:50 mg

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CAS Number

477-57-6

Chemical Information

Isotetrandrine, (+)-

1-Isotetrandrine has been reported in Laurelia sempervirens, Berberis taliensis, and other organisms with data available.

CAS Number	477-57-6
PubChem CID	457825
IUPAC Name	(1S,14R)-9,20,21,25-tetramethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaene
Molecular Formula	C38H42N2O6
Molecular Weight	622.7
XLogP	6.4
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	46
Formal Charge	0
Complexity	979

SMILES

CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC

InChI

InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30+/m0/s1

InChIKey

WVTKBKWTSCPRNU-XZWHSSHBSA-N

Chemical Structure

2D Structure

CAS: 477-57-6

CID: 457825

Formula: C38H42N2O6

MW: 622.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	622.7
XLogP3	6.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	622.30428706
Monoisotopic Mass	622.30428706
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	979
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

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Isotetrandrine 50mg

Chemical Information

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