Name: LAURIFOLINE
SKU: 7224-61-5

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Basic Information

Molecular Structure:
CAS No.:	7224-61-5
Name:	LAURIFOLINE

Formula:	C₂₀H₂₄NO₄⁺
Molecular Weight:	342.415
Synonyms:	4H-Dibenzo(de,g)quinolinium, 5,6,6a,7-tetrahydro-1,9-dihydroxy-2,10-dimethoxy-6,6-dimethyl-, (S)-;6808-76-0;4H-Dibenzo[de,g]quinolinium,5,6,6a,7-tetrahydro- 1,9-dihydroxy-2,10-dimethoxy-6,6- dimethyl-,(6aS)-;1-(heptathiazocan-8-yl)ethanone;Laurifoline;
PSA:	58.92000
LogP:	2.97050

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Specification

The Laurifoline (Cocculus) is an organic compound with the formula C₂₀H₂₄NO₄⁺. The systematic name of this chemical is 1,9-Dihydroxy-2,10-dimethoxy-6,6-dimethyl-5,6,6α,7-tetrahydro-4H-dibenzo[de,g]quinolinium. With the CAS registry number 7224-61-5, it is also named as Laurifoline. Besides, its molecular weight is 342.4083.

Physical properties about Laurifoline (Cocculus) are: (1)ACD/LogP: -1.71; (2)ACD/LogD (pH 5.5): -1.71; (3)ACD/LogD (pH 7.4): -1.67; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.79; (7)ACD/KOC (pH 7.4): 3.09; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 36.92 Å².

You can still convert the following datas into molecular structure:
(1)SMILES: O(c4cc3c1c2c(cc(OC)c1O)CC[N+](C2Cc3cc4O)(C)C)C
(2)InChI: InChI=1/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1
(3)InChIKey: ZDVDVLRYVOZWMP-IKLDFBCSAB
(4)Std. InChI: InChI=1S/C20H23NO4/c1-21(2)6-5-11-9-17(25-4)20(23)19-13-10-16(24-3)15(22)8-12(13)7-14(21)18(11)19/h8-10,14H,5-7H2,1-4H3,(H-,22,23)/p+1
(5)Std. InChIKey: ZDVDVLRYVOZWMP-UHFFFAOYSA-O