Fetidine

CAS Registry Number®

7072-86-8

CAS Name

Fetidine

Molecular Formula

C40H46N2O8

Molecular Mass

682.80

Cite this Page

Fetidine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=7072-86-8 (retrieved 2024-11-22) (CAS RN: 7072-86-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132-135 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(45-4)32(46-5)20-26(22)28(41)15-24-9-10-30(44-3)40(49-8)39(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(48-7)38(43)37(36)27(25)21-33(34)47-6/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1

InChIKey

InChIKey=IBHSRCBKJMEBQB-VMPREFPWSA-N

SMILES

OC1=C2C=3[C@](CC=4C2=CC(OC)=C(OC5=C(C[C@H]6C=7C(=CC(OC)=C(OC)C7)CCN6C)C=CC(OC)=C5OC)C4)(N(C)CCC3C=C1OC)[H]

Canonical SMILES

OC1=C(OC)C=C2C3=C1C4=CC(OC)=C(OC5=C(OC)C(OC)=CC=C5CC6C7=CC(OC)=C(OC)C=C7CCN6C)C=C4CC3N(C)CC2

Other Names for this Substance

  • 4H-Dibenzo[de,g]quinolin-1-ol, 9-[2,3-dimethoxy-6-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, (6aS)-
  • 4H-Dibenzo[de,g]quinolin-1-ol, 9-[2,3-dimethoxy-6-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-, [S-(R*,R*)]-
  • 6aα-Aporphin-1-ol, 9-[[5,6-dimethoxy-α-((R)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-m-tolyl]oxy]-2,10-dimethoxy-
  • (6aS)-9-[2,3-Dimethoxy-6-[[(1S)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]-5,6,6a,7-tetrahydro-2,10-dimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-1-ol
  • Fetidine

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