rel-(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dione
CAS Registry Number®
629652-62-6
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CAS Name
rel-(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dioneMolecular Formula
C21H17N3O4Molecular Mass
375.38Cite this Page
rel-(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dione. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=629652-62-6 (retrieved ) (CAS RN: 629652-62-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Compound Properties
Melting Point (1)
283-285 °C
Source(s)
Other Names and Identifiers
InChI
InChI=1/C21H17N3O4/c25-18-9-22-21(26)15-8-13-12-3-1-2-4-14(12)23-19(13)20(24(15)18)11-5-6-16-17(7-11)28-10-27-16/h1-7,15,20,23H,8-10H2,(H,22,26)/t15-,20-/s2
InChIKey
InChIKey=XHDLVMPUSXRZOS-SBUNUNJWNA-N
SMILES
O=C1N2[C@@H](C3=C(C=4C(N3)=CC=CC4)C[C@@]2(C(=O)NC1)[H])C=5C=C6C(=CC5)OCO6
Canonical SMILES
O=C1NCC(=O)N2C(C3=CC=C4OCOC4=C3)C=5NC=6C=CC=CC6C5CC12
Other Names for this Substance
- Pyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dione, 6-(1,3-benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydro-, (6R,12aR)-rel-
- rel-(6R,12aR)-6-(1,3-Benzodioxol-5-yl)-2,3,6,7,12,12a-hexahydropyrazino[1′,2′:1,6]pyrido[3,4-b]indole-1,4-dione
