Allapinin

Catalog Number	ACM97792455
CAS Number	97792-45-5
Structure
Synonyms	Lappaconitine hydrobromide
Molecular Weight	665.6
InChI	InChI=1S/C32H44N2O8.BrH/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5;/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35);1H/t19-,20+,22+,23-,24+,25+,26?,27+,29-,30+,31+,32+;/m1./s1
InChI Key	CFFYROOPXPKMEQ-OPLXFBIMSA-N
Melting Point	223-226 °C
Purity	98%+
Complexity	1120
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	11
Exact Mass	664.23593
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	4
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@]5([C@H]6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C.Br
Monoisotopic Mass	664.23593
PhysicalState	Solid
Rotatable Bond Count	8
Topological Polar Surface Area	127 Ų

Custom Q&A

What is the chemical formula of LAPPACONITINE HYDROBROMIDE?

The chemical formula of LAPPACONITINE HYDROBROMIDE is C32H45BrN2O8.

What is the molecular weight of LAPPACONITINE HYDROBROMIDE?

The molecular weight of LAPPACONITINE HYDROBROMIDE is 665.61.

What is the melting point of LAPPACONITINE HYDROBROMIDE?

The melting point of LAPPACONITINE HYDROBROMIDE is 223-226 ºC.

What is the color of LAPPACONITINE HYDROBROMIDE?

LAPPACONITINE HYDROBROMIDE is white to light yellow in color.

In what form does LAPPACONITINE HYDROBROMIDE exist?

LAPPACONITINE HYDROBROMIDE exists in powder to crystal form.

What is the recommended storage temperature for LAPPACONITINE HYDROBROMIDE?

The recommended storage temperature for LAPPACONITINE HYDROBROMIDE is 2-8°C.

What are the safety hazard codes associated with LAPPACONITINE HYDROBROMIDE?

The safety hazard code associated with LAPPACONITINE HYDROBROMIDE is T+.

What are the risk statements associated with LAPPACONITINE HYDROBROMIDE?

The risk statement associated with LAPPACONITINE HYDROBROMIDE is 28.

What is the primary usage of LAPPACONITINE HYDROBROMIDE?

LAPPACONITINE HYDROBROMIDE is used as the hydrobromide salt of (+)-Lappaconitine, a potential antitumor agent that induces HL-60 differentiation and apoptosis with analgesic activity.

In what solvents is LAPPACONITINE HYDROBROMIDE slightly soluble?

LAPPACONITINE HYDROBROMIDE is slightly soluble in DMSO and methanol.

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