Pipecuronium

CAS Registry Number®

68399-58-6
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CAS Name

Pipecuronium

Molecular Formula

C35H62N4O4

Cite this Page

Pipecuronium.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=68399-58-6 (retrieved 2024-04-13) (CAS RN: 68399-58-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H62N4O4/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36/h26-33H,9-23H2,1-8H3/q+2/t26-,27+,28-,29-,30-,31-,32-,33-,34-,35-/m0/s1

InChIKey

InChIKey=OWWLUIWOFHMHOQ-XGHATYIMSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](OC(C)=O)[C@H](C4)N5CC[N+](C)(C)CC5)[H])(CC1)[H])[H])(C[C@@H]([C@@H]2OC(C)=O)N6CC[N+](C)(C)CC6)[H]

Canonical SMILES

O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(N5CC[N+](C)(C)CC5)CC34)C2(C)CC1N6CC[N+](C)(C)CC6)C

Other Names for this Substance

  • Piperazinium, 4,4′-[(2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)androstane-2,16-diyl]bis[1,1-dimethyl-
  • Androstane, piperazinium deriv.
  • 4,4′-[(2β,3α,5α,16β,17β)-3,17-Bis(acetyloxy)androstane-2,16-diyl]bis[1,1-dimethylpiperazinium]
  • Pipecuronium

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