(Q82960431)

English

N-[(5H-Dibenzo[b,f]azepin-5-yl)(hydroxy)methylidene]hexopyranuronosylamine

group of stereoisomers with the chemical formula C₂₁H₂₀N₂O₇

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Statements

group of stereoisomers

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chemical compound

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412.1270509799999 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₀N₂O₇

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based on heuristic

inferred from SMILES

canonical SMILES

O=C(O)C1OC(N=C(O)N2c3ccccc3C=Cc3ccccc32)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

O=C(O)[C@H]1OC(NC(=O)N2c3ccccc3C=Cc3ccccc32)[C@H](O)[C@@H](O)[C@@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C21H20N2O7/c24-15-16(25)18(20(27)28)30-19(17(15)26)22-21(29)23-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)23/h1-10,15-19,24-26H,(H,22,29)(H,27,28)/t15-,16-,17+,18-,19?/m0/s1

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VKZWFMGCAPKSML-BMMZCLLGSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

DTXCID801403144

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Human Metabolome Database ID

1 reference

based on heuristic

inferred from InChIKey

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