1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

CAS Registry Number®

6700-56-7

CAS Name

1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Molecular Formula

C16H23NO2.C6H8O7

Cite this Page

1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=2085-42-9 (retrieved 2024-11-22) (CAS RN: 6700-56-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H23NO2.C6H8O7/c1-3-19-15(18)16(14-8-5-4-6-9-14)10-7-12-17(2)13-11-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,3,7,10-13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

InChIKey

InChIKey=KCVHFFSPDODYOG-UHFFFAOYSA-N

SMILES

C(CC(O)=O)(CC(O)=O)(C(O)=O)O.C(OCC)(=O)C1(CCN(C)CCC1)C2=CC=CC=C2

Canonical SMILES

O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(OCC)C1(C=2C=CC=CC2)CCN(C)CCC1

Other Names for this Substance

  • 1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
  • Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, citrate (1:1)
  • Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, ethyl ester, citrate
  • Ethoheptazine citrate
  • Zactane

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Deleted or Replaced CAS Registry Numbers

1446-48-6, 2085-42-9, 6078-45-1, 38423-94-8

CAS INSIGHTSTM
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