tetrandrine

tetrandrine

CAS: 518-34-3

Formula: C38H42N2O6

SMILES: COC1=CC=C2C[C@@H]3N(C)CCC4=CC(OC)=C(OC)C(OC5=CC6=C(CCN(C)[C@H]6CC6=CC=C(OC1=C2)C=C6)C=C5OC)=C34

IUPAC: (1S,14S)-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-3,5,8(34),9,11,18,20,22(33),24(32),25,27(31),35-dodecaene

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+/m1/s1

Composition: C (73.29%), H (6.80%), N (4.50%), O (15.41%)

Molar Mass: 622.762

Atom Count: 88

Heavy Atom Count: 46

Properties

Properties

Common Names	(+)-tetrandrine; (1'β)-isomer tetrandrine; (1'β)-tetrandrine; (S,S)-tetrandrine; D-tetrandrine; DL-tetrandrine; d-tetrandrine; fanchinine; hanjisong; pheanthine; sinomenine A; tetradrine; tetrandrin; tetrandrine; tetrandrine, (1'β)-; tetrandrine, (1'β)-isomer; 粉防己碱
Aromatic Ring Count	4
Asymmetric Atom Count	2
Exact Mass	622.30428708
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	WVTKBKWTSCPRNU-KYJUHHDHSA-N
Lipinski's Rule of Five
Molar Refractivity	180.11
Topological Polar Surface Area	61.86
Polarizability	69.61
Ring Count	7
Rotatable Bond Count	4

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Purity	LeadTime	CAS		UnitPrice
99%	<10 Days	518-34-3		Quote Only