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1222490-34-7

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1222490-34-7 Structure

1222490-34-7 Structure
IdentificationBack Directory
[Name]

SGD 1882
[CAS]

1222490-34-7
[Synonyms]

SGD 1882
PBD dimer
SGD1882,SGD 1882
5H-Pyrrolo[2,1-c][1,4]benzodiazepin-5-one, 2-(4-aminophenyl)-8-[3-[[(11aS)-5,11a-dihydro-7-methoxy-2-(4-methoxyphenyl)-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]propoxy]-1,11a-dihydro-7-methoxy-, (11aS)-
[Molecular Formula]

C42H39N5O7
[MDL Number]

MFCD27952508
[MOL File]

1222490-34-7.mol
[Molecular Weight]

725.79
Chemical PropertiesBack Directory
[Boiling point ]

977.7±65.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[pka]

5.07±0.10(Predicted)
[InChIKey]

OMRPLUKQNWNZAV-CONSDPRKSA-N
[SMILES]

N1C2=CC(OCCCOC3C=C4N=C[C@]5([H])CC(C6=CC=C(OC)C=C6)=CN5C(=O)C4=CC=3OC)=C(OC)C=C2C(=O)N2C=C(C3=CC=C(N)C=C3)C[C@@]2([H])C=1
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