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Substance Name: Ammonium, trimethylenebis(diethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, dibromide
ID: BT07350000
InChIKey: WEZQIHGIUWRRJM-UHFFFAOYSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Weight

  • 760.5722
 
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Names and Synonyms

Synonym

  • Trimethylenebis(diethyl(theophyllinylethyl)ammonium bromide)

Systematic Name

  • Ammonium, trimethylenebis(diethyl(2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl)-, dibromide

Registry Numbers

ID Number

  • NIOSH/BT0735000

System Generated Number

  • BT07350000

Structure Descriptors

InChI

1S/C29H48N10O4.2BrH/c1-9-38(10-2,18-14-36-20-30-24-22(36)26(40)34(7)28(42)32(24)5)16-13-17-39(11-3,12-4)19-15-37-21-31-25-23(37)27(41)35(8)29(43)33(25)6;;/h20-21H,9-19H2,1-8H3;2*1H/q+2;;/p-2

InChIKey

WEZQIHGIUWRRJM-UHFFFAOYSA-L

Smiles

CC[N+](CC)(CCC[N+](CC)(CC)CCn1cnc2c1c(=O)n(c(=O)n2C)C)CCn3cnc4c3c(=O)n(c(=O)n4C)C.[Br-].[Br-]