1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, cis-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2)

CAS Registry Number®

94442-12-3

CAS Name

1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, cis-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2)

Molecular Formula

C13H17N3O.1/2C10H16O4

Cite this Page

1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, cis-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=94442-12-3 (retrieved 2024-11-25) (CAS RN: 94442-12-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    94 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1/C13H17N3O.C10H16O4/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-9(2)6(7(11)12)4-5-10(9,3)8(13)14/h5-9H,1-4H3;6H,4-5H2,1-3H3,(H,11,12)(H,13,14)/t;6-,10+/s2

InChIKey

InChIKey=DLFGMQARYYALEX-RLVTYUHUNA-N

SMILES

C(O)(=O)[C@@]1(C)C(C)(C)[C@@H](C(O)=O)CC1.O=C1N(N(C)C(C)=C1N(C)C)C2=CC=CC=C2

Canonical SMILES

O=C(O)C1CCC(C(=O)O)(C)C1(C)C.O=C1C(=C(N(N1C=2C=CC=CC2)C)C)N(C)C

Other Names for this Substance

  • 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, cis-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2)
  • 1,3-Cyclopentanedicarboxylic acid, 1,2,2-trimethyl-, cis-(±)-, compd. with 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one (1:2)
  • 3H-Pyrazol-3-one, 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-, cis-1,2,2-trimethyl-1,3-cyclopentanedicarboxylate (2:1)
  • Aminopyrine bicamphorate
  • Pyramidon bicamphorate

CAS INSIGHTSTM
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