CAS Registry Number®
97792-45-5
CAS Name
Lappaconitine hydrobromide
Molecular Formula
C32H44N2O8.BrH
Compound Properties
-
Melting Point (1)
223-226 °C (decomp)
Source(s)
- (1) Pankrushina, N. A.; Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya), (2003), 52(11), 2490-2499, CAplus
Other Names and Identifiers
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
InChIKey
InChIKey=CFFYROOPXPKMEQ-IPZKEBFRSA-N
SMILES
O(C)[C@@H]1[C@@]23[C@]4([C@](OC(=O)C5=C(NC(C)=O)C=CC=C5)(CN(CC)[C@@]2([C@](C4)([C@]6(O)[C@]7(O)[C@]3(C[C@@]([C@@H]7OC)([C@@H](OC)C6)[H])[H])[H])[H])CC1)[H].Br
Canonical SMILES
Br.O=C(OC12CN(CC)C3C4CC1C3(C(OC)CC2)C5CC6C(OC)CC4(O)C5(O)C6OC)C=7C=CC=CC7NC(=O)C
Other Names for this Substance
- Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-[2-(acetylamino)benzoate], hydrobromide (1:1), (1α,14α,16β)-
- Aconitane-4,8,9-triol, 20-ethyl-1,14,16-trimethoxy-, 4-[2-(acetylamino)benzoate], monohydrobromide, (1α,14α,16β)-
- 2H-12,3,6a-Ethanylylidene-7,9-methanonaphth[2,3-b]azocine, aconitane-4,8,9-triol deriv.
- Lappaconitine hydrobromide
- Allapinine
- Allafort
Deleted or Replaced CAS Registry Numbers
97673-48-8, 1103124-46-4, 1262758-09-7, 1435901-84-0, 1581694-93-0
