(Q82842384)

English

(2R,3S,4S,5S)-6-Carboxy-N-{2-[4-(1,2-diphenylbut-1-en-1-yl)phenoxy]ethyl}-3,4,5-trihydroxy-N,N-dimethyloxan-2-aminium (non-preferred name)

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

548.2642789760898 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

tamoxifen N-beta-D-glucosiduronic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₈NO₇⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCC(=C(c1ccccc1)c1ccc(OCC[N+](C)(C)C2OC(C(=O)O)C(O)C(O)C2O)cc1)c1ccccc1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CCC(=C(c1ccccc1)c1ccc(OCC[N+](C)(C)[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)[C@@H]2O)cc1)c1ccccc1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C32H37NO7/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)39-20-19-33(2,3)31-29(36)27(34)28(35)30(40-31)32(37)38/h5-18,27-31,34-36H,4,19-20H2,1-3H3/p+1/t27-,28-,29-,30?,31+/m0/s1

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InChIKey

UKFQQYJAYUAYES-XDTWCLPLSA-O

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2 references

26 December 2021

matched by identifier from

InChIKey

UKFQQYJAYUAYES-XDTWCLPLSA-O

1 reference

1 reference

matched by identifier from

InChIKey

UKFQQYJAYUAYES-XDTWCLPLSA-O

DSSTOX compound identifier

DTXCID80800242

0 references

(Q82842384)

(2R,3S,4S,5S)-6-Carboxy-N-{2-[4-(1,2-diphenylbut-1-en-1-yl)phenoxy]ethyl}-3,4,5-trihydroxy-N,N-dimethyloxan-2-aminium (non-preferred name)

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