Echitamine
CAS Registry Number®
6871-44-9
No image available.
CAS Name
EchitamineMolecular Formula
C22H29N2O4Cite this Page
Echitamine. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=6871-44-9 (retrieved ) (CAS RN: 6871-44-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
139-140 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24?/m0/s1
InChIKey
InChIKey=AFJPGVUCVDCFPM-MLIPYVIESA-N
SMILES
C(OC)(=O)[C@@]1(CO)[C@]23[C@]4([N@@+](C)(CC2)C\C(=C\C)\[C@@]1(C[C@@H]4O)[H])NC=5C3=CC=CC5
Canonical SMILES
O=C(OC)C1(CO)C2C(=CC)C[N+]3(C)CCC41C=5C=CC=CC5NC43C(O)C2
Other Names for this Substance
- 13H-3,8a-Methano-1H-azepino[1′,2′:1,2]pyrrolo[2,3-b]indolium, 4-ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-, (1S,3S,4E,8aS,13aR,14R)-
- Echitamine
- 2,4(1H)-Cyclo-3,4-secoakuammilanium, 3,17-dihydroxy-16-(methoxycarbonyl)-4-methyl-, (3β,16R)-
- Ditaine
- (1S,3S,4E,8aS,13aR,14R)-4-Ethylidene-2,3,4,5,7,8-hexahydro-1-hydroxy-14-(hydroxymethyl)-14-(methoxycarbonyl)-6-methyl-13H-3,8a-methano-1H-azepino[1′,2′:1,2]pyrrolo[2,3-b]indolium
Deleted or Replaced CAS Registry Numbers
1356-78-1, 23106-72-1
