(Q83034398)

English

2H-1,3-Diazepin-2-one, 1,3-bis((3-chlorophenyl)methyl)hexahydro-5,6-dihydroxy-4,7-bis(phenylmethyl)-, (4R,5S,6S,7R)-

chemical compound

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Statements

type of chemical entity

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chemical compound

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574.178998244 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₃₂Cl₂N₂O₃

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canonical SMILES

O=C1N(Cc2cccc(Cl)c2)C(Cc2ccccc2)C(O)C(O)C(Cc2ccccc2)N1Cc1cccc(Cl)c1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)Cl)CC4=CC(=CC=C4)Cl)CC5=CC=CC=C5)O)O

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Identifiers

InChI=1S/C33H32Cl2N2O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22H2/t29-,30-,31+,32+/m1/s1

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ZUJGJNYAFLLTGY-ZRTHHSRSSA-N

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CAS Registry Number

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UniChem compound ID

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DSSTox substance ID

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matched by identifier from

ZUJGJNYAFLLTGY-ZRTHHSRSSA-N

DSSTOX compound identifier

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