Products 1201771-13-2

CAS 1201771-13-2 is the registry number for MB 660R NHS Ester. Offered by: MedChemExpress. Available pack sizes: Get quote.

Structural formula: {0} (CAS {1})

3-[20-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-6-yl]propane-1-sulfonate (CAS 1201771-13-2) is a chemical compound with the molecular formula C35H44N4O14S3 and a molecular weight of 840.9 g/mol. IUPAC name: 3-[20-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-6-yl]propane-1-sulfonate. InChIKey: YAVQXHOUZLJEEO-UHFFFAOYSA-N.

Identity
Molecular formulaC35H44N4O14S3
Molecular weight840.9 g/mol
IUPAC name3-[20-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-7,7,19,19-tetramethyl-9,17-bis(sulfomethyl)-2-oxa-6,13-diaza-20-azoniapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3(12),4,10,13,15,20-heptaen-6-yl]propane-1-sulfonate
InChIKeyYAVQXHOUZLJEEO-UHFFFAOYSA-N
SMILESCC1(CC(C2=CC3=C(C=C2N1CCCS(=O)(=O)[O-])OC4=CC5=[N+](C(CC(C5=CC4=N3)CS(=O)(=O)O)(C)C)CCCC(=O)ON6C(=O)CCC6=O)CS(=O)(=O)O)C

Computed by PubChem (NCBI)

Synonyms: orb3028989