Products 2250419-19-1

CAS 2250419-19-1 appears in our catalog under these names: IR820-PTX/ 98.15% (existing batch purity), IR820-PTX. Offered by: TargetMol, Chemat, MedChemExpress. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 1 mg.

IR820-PTX/ 98.15% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 5
from 2046.38
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IR820-PTX
Chemat, MedChemExpress
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 6
from 1418.00
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Structural formula: {0} (CAS {1})

Sodium 4-[2-[(E)-2-[(3E)-2-[[6-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-6-oxohexyl]amino]-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate (CAS 2250419-19-1) is a chemical compound with the molecular formula C99H112N4NaO21S2+ and a molecular weight of 1781.1 g/mol. IUPAC name: sodium 4-[2-[(E)-2-[(3E)-2-[[6-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-6-oxohexyl]amino]-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate. InChIKey: GOMXEQWQNZYYCQ-CMECTGEHSA-N.

Identity
Molecular formulaC99H112N4NaO21S2+
Molecular weight1781.1 g/mol
IUPAC namesodium 4-[2-[(E)-2-[(3E)-2-[[6-[(1S,2R)-1-benzamido-3-[[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-2-benzoyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl]oxy]-3-oxo-1-phenylpropan-2-yl]oxy-6-oxohexyl]amino]-3-[(2E)-2-[1,1-dimethyl-3-(4-sulfobutyl)benzo[e]indol-2-ylidene]ethylidene]cyclohexen-1-yl]ethenyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
InChIKeyGOMXEQWQNZYYCQ-CMECTGEHSA-N
SMILESCC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCCCNC\7=C(CCC/C7=C\C=C\8/C(C9=C(N8CCCCS(=O)(=O)O)C=CC1=CC=CC=C19)(C)C)/C=C/C1=[N+](C2=C(C1(C)C)C1=CC=CC=C1C=C2)CCCCS(=O)(=O)[O-])O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C.[Na+]

Computed by PubChem (NCBI)