[2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazaniummethyl sulfate

[2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazanium;methyl sulfate

CAS: 72990-72-8

Molecular Formula	`C26H42N4O12S2`
Molecular Weight	666.8 g/mol
Topological Polar Surface Area	234.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	12
Rotatable Bonds	10
Exact Mass	666.22406
Heavy Atoms	44
Complexity	777.0

Chemical Identifiers

CAS Number	72990-72-8
SMILES	`CCOC(=O)C1=C(C2=C(N1)C3=C(C=C2)NC(=C3C[N+](C)(C)C)C(=O)OCC)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-]`
InChIKey	`ODPYZUQFLCDLMT-UHFFFAOYSA-N`

📖 Product Overview

[2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazaniummethyl sulfate (CAS: 72990-72-8) is a chemical compound with molecular formula C26H42N4O12S2 and molecular weight 666.8 g/mol. Its IUPAC systematic name is [2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazanium;methyl sulfate. Topological Polar Surface Area 234.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 12 Rotatable Bonds 10 Exact Mass 666.22406 Heavy Atoms 44 Complexity 777.0 InChI Key: ODPYZUQFLCDLMT-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(C2=C(N1)C3=C(C=C2)NC(=C3C[N+](C)(C)C)C(=O)OCC)C[N+](C)(C)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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📚 Academic Support

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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for [2,7-bis(ethoxycarbonyl)-3-[(trimethylazaniumyl)methyl]-1,6-dihydropyrrolo[2,3-e]indol-8-yl]methyl-trimethylazaniummethyl sulfate.

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