Name: 马钱子碱 硫酸盐 水合物
Brand: SIGMA

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About This Item

线性分子式:

(C₂₃H₂₆N₂O₄)₂ · H₂SO₄

CAS Number:

652154-10-4

分子量:

443.50 (anhydrous basis)

Beilstein:

3875567

EC 号:

225-432-9

MDL编号:

MFCD00150158

UNSPSC代码:

12352200

PubChem化学物质编号:

24891514

NACRES:

NA.77

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表单

powder

mp

~185 °C (dec.) (lit.)

SMILES字符串

[H]O[H].OS(O)(=O)=O.[H][C@@]12CC(=O)N3c4cc(OC)c(OC)cc4[C@]56CC[N@H]7CC(=CCO1)[C@]([H])(C[C@@H]57)[C@]2([H])[C@]36[H].[H][C@@]89CC(=O)N%10c%11cc(OC)c(OC)cc%11[C@]%12%13CC[N@H]%14CC(=CCO8)[C@]([H])(C[C@@H]%12%14)[C@]9([H])[C@]%10%13[H]

InChI

1S/2C23H26N2O4.H2O4S.H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);1H2/t2*13-,18-,19-,21-,22-,23+;;/m00../s1

InChI key

DYCXTLLGAUPAQK-YZWZKZGNSA-N

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一般描述

Brucine sulfate hydrate is a sulfate salt of brucine, a major pharmacological constituent of Strychnos nux-vomica seeds, that is known for its anti-inflammatory and analgesic activities. Brucine is also used as a chiral resolving agent for the optical resolution of tertiary acetylenic alcohols into enantiomers.

应用

Brucine sulfate salt hydrate can be used:

As an electron donor in the synthesis of charge transfer complexes with electron acceptors like DDQ (2,3-dichloro-5,6-dicyano-p-benzoquinone) and chloranilic acid.
As a chiral agent or chiral dopant in the preparation of lyotropic cholesteric liquid crystalline phases.