Compound Summary


  Compound Information
 PINAVERIUM BROMIDE

Compound Name:

PINAVERIUM BROMIDE

Compound CID:

40703

Synonyms:

PINAVERIUM BROMIDE

53251-94-8

Pinaverium bromide INN

Dicetel

Pinaverium bromide (INN)

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Iupac Name:

4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)ethoxy]ethyl]morpholin-4-ium;bromide

InChI:

InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27;/h15,17,19,21-22H,5-14,16,18H2,1-4H3;1H/q+1;/p-1

InChIKey:

IKGXLCMLVINENI-UHFFFAOYSA-M

Canonical Smiles:

CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]

Isomeric Smiles:

CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-]

Molecular Weight:

591.4

Molecular Formula:

C26H41Br2NO4

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 PINAVERIUM BROMIDE

Molecular Weight:

591.4

Molecular Formula:

C26H41Br2NO4

Hydrogen Bond Donor Count:

0

Hydrogen Bond Acceptor Count:

5

Rotatable Bond Count:

10

Heavy Atom Count:

33

Complexity:

596

  Synonyms
 PINAVERIUM BROMIDE

  Experimental Data
 PINAVERIUM BROMIDE

  Experimental Data Visualization
 PINAVERIUM BROMIDE

  Statistics Data
 PINAVERIUM BROMIDE

  Statistics Data Visualization
 PINAVERIUM BROMIDE