Rodocaine

CAS Registry Number®

38821-80-6
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CAS Name

Rodocaine

Molecular Formula

C18H25ClN2O

Molecular Mass

320.86

Cite this Page

Rodocaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38821-80-6 (retrieved 2024-07-05) (CAS RN: 38821-80-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    95 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1/C18H25ClN2O/c1-13-5-2-8-15(19)18(13)20-17(22)10-12-21-11-4-7-14-6-3-9-16(14)21/h2,5,8,14,16H,3-4,6-7,9-12H2,1H3,(H,20,22)/t14-,16+/s2

InChIKey

InChIKey=ICLIXBRUSBYXEV-AQPSWHTGNA-N

SMILES

C(CC(NC1=C(C)C=CC=C1Cl)=O)N2[C@@]3([C@](CCC3)(CCC2)[H])[H]

Canonical SMILES

O=C(NC=1C(Cl)=CC=CC1C)CCN2CCCC3CCCC23

Other Names for this Substance

  • 1H-Cyclopenta[b]pyridine-1-propanamide, N-(2-chloro-6-methylphenyl)octahydro-, (4aR,7aS)-rel-
  • 1H-1-Pyrindine-1-propanamide, N-(2-chloro-6-methylphenyl)octahydro-, trans-
  • 1H-Cyclopenta[b]pyridine-1-propanamide, N-(2-chloro-6-methylphenyl)octahydro-, trans-
  • rel-(4aR,7aS)-N-(2-Chloro-6-methylphenyl)octahydro-1H-cyclopenta[b]pyridine-1-propanamide
  • trans-6′-Chloro-2,3,4,4a,5,6,7,7a-octahydro-1H-1-pyrindine-1-propiono-o-toluidide

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Deleted or Replaced CAS Registry Numbers

39489-95-7