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Pharmaceutical Raw Materials
Pharmaceutical Raw Materials
5-methyl-1H-pyrrole-2-carboxylate
Canonical SMILES: CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)C(=C(O4)O)NC(=
O)C5=CNC(=C5C)C(=O)NC6=C(OC7=C(C6=O)C=CC(=C7C)OC8C(C(C(C(O8)(C)C)OC)OC(=
O)C9=CC=C(N9)C)O)O)C)O.[Na+]
Isomeric SMILES: CC1=CC=C(N1)C(=O)O[C@@H]2[C@@H](C(OC([C@H]2OC)(C)C)OC3=C(C4=C(C=C3)C(=O)
Undefined Atom StereoCenter Count 2
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 2
Descriptors Computed from Structure:
IUPAC Name: sodium
[(3R
4S
5R)-5-hydroxy-6-[2-hydroxy-3-[[4-[[2-hydroxy-7-[(3S
5S)-3-hydroxy-5-methoxy-6
Complexity 2440
Isotope Atom Count 0
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