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

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-dione

Molecular Formula

C21H17N3O4

Molecular Mass

375.38

Cite 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 2024-11-28) (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

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