Semotiadil

CAS Registry Number®

116476-13-2
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CAS Name

Semotiadil

Molecular Formula

C29H32N2O6S

Molecular Mass

536.64

Cite this Page

Semotiadil.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=116476-13-2 (retrieved 2024-04-19) (CAS RN: 116476-13-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C29H32N2O6S/c1-30(14-16-34-21-10-12-25-26(18-21)37-19-36-25)13-6-15-35-24-11-9-20(33-3)17-22(24)28-29(32)31(2)23-7-4-5-8-27(23)38-28/h4-5,7-12,17-18,28H,6,13-16,19H2,1-3H3/t28-/m1/s1

InChIKey

InChIKey=RKXVEXUAWGRFNP-MUUNZHRXSA-N

SMILES

O(CCCN(CCOC=1C=C2C(=CC1)OCO2)C)C3=C(C=C(OC)C=C3)[C@H]4SC=5C(N(C)C4=O)=CC=CC5

Canonical SMILES

O=C1N(C=2C=CC=CC2SC1C3=CC(OC)=CC=C3OCCCN(C)CCOC4=CC=C5OCOC5=C4)C

Other Names for this Substance

  • 2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[3-[[2-(1,3-benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-, (2R)-
  • 2H-1,4-Benzothiazin-3(4H)-one, 2-[2-[3-[[2-(1,3-benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-, (R)-
  • (2R)-2-[2-[3-[[2-(1,3-Benzodioxol-5-yloxy)ethyl]methylamino]propoxy]-5-methoxyphenyl]-4-methyl-2H-1,4-benzothiazin-3(4H)-one
  • Semotiadil
  • DS 4823

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Deleted or Replaced CAS Registry Numbers

139509-02-7

CAS INSIGHTSTM
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