Pretazettine

CAS Registry Number®

17322-84-8

CAS Name

Pretazettine

Molecular Formula

C18H21NO5

Molecular Mass

331.36

Cite this Page

Pretazettine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17322-84-8 (retrieved 2024-11-23) (CAS RN: 17322-84-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    205-208 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H21NO5/c1-19-8-16-18(4-3-10(21-2)5-15(18)19)12-7-14-13(22-9-23-14)6-11(12)17(20)24-16/h3-4,6-7,10,15-17,20H,5,8-9H2,1-2H3/t10-,15+,16+,17-,18+/m1/s1

InChIKey

InChIKey=KLJOYDMUWKSYBP-YNBLHMCPSA-N

SMILES

CN1[C@@]2([C@@]3(C=4C(=CC5=C(C4)OCO5)[C@H](O)O[C@]3(C1)[H])C=C[C@@H](OC)C2)[H]

Canonical SMILES

OC1OC2CN(C)C3CC(OC)C=CC23C4=CC=5OCOC5C=C41

Other Names for this Substance

  • 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indol-8-ol, 3,4,4a,5,6,6a-hexahydro-3-methoxy-5-methyl-, (3S,4aS,6aR,8R,13bS)-
  • Pretazettine
  • Tazettine, 6a-deoxy-8-hydroxy-, (6aβ,8β)-
  • Isotazettine
  • 8H-[1,3]Dioxolo[6,7][2]benzopyrano[3,4-c]indole, tazettine deriv.

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Deleted or Replaced CAS Registry Numbers

19625-18-4

CAS INSIGHTSTM
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