Products 2246380-69-6

CAS 2246380-69-6 appears in our catalog under these names: MAC glucuronide phenol–linked SN–38, Mac glucuronide phenol-linked sn-38, MAC glucuronide phenol-linked SN-38, 99.50%, MAC glucuronide phenol-linked SN-38, 98.01%. Offered by: GLPBio, Biosynth, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 50mg, 25mg, 1 mg, 5 mg, 10 mg.

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

(2S,3S,4S,5R,6S)-6-[4-[[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl-(2-methylsulfonylethyl)carbamoyl]oxymethyl]-2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]acetyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 2246380-69-6) is a chemical compound with the molecular formula C50H54N6O20S and a molecular weight of 1091.1 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[4-[[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl-(2-methylsulfonylethyl)carbamoyl]oxymethyl]-2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]acetyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: IKQSTTAUHYHYCV-GVAVQZEZSA-N.

Identity
Molecular formulaC50H54N6O20S
Molecular weight1091.1 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[4-[[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl-(2-methylsulfonylethyl)carbamoyl]oxymethyl]-2-[[2-[3-(2,5-dioxopyrrol-1-yl)propanoyl-methylamino]acetyl]amino]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyIKQSTTAUHYHYCV-GVAVQZEZSA-N
SMILESCCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OCN(CCS(=O)(=O)C)C(=O)OCC6=CC(=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)NC(=O)CN(C)C(=O)CCN8C(=O)C=CC8=O

Computed by PubChem (NCBI)