(Q72470943)

English

(2R,6S)-rel-2,6-Dimethyl-N-[5-[6-(4-morpholinyl)-4-oxo-4H-pyran-2-yl]-9H-thioxanthen-2-yl]-4-morpholineacetamide

chemical compound

In more languages

Statements

type of chemical entity

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chemical compound

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547.214092156 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₃₃N₃O₅S

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canonical SMILES

CC1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)CC(C)O1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@@H]1CN(CC(=O)Nc2ccc3c(c2)Cc2cccc(-c4cc(=O)cc(N5CCOCC5)o4)c2S3)C[C@H](C)O1

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+

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SCELLOWTHJGVIC-BGYRXZFFSA-N

1 reference

based on heuristic

inferred from InChI

CAS Registry Number

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1 reference

matched by identifier from

SCELLOWTHJGVIC-BGYRXZFFSA-N

mapping relation type

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matched by identifier from

International Chemical Identifier

InChI=1S/C30H33N3O5S/c1-19-16-32(17-20(2)37-19)18-28(35)31-23-6-7-27-22(13-23)12-21-4-3-5-25(30(21)39-27)26-14-24(34)15-29(38-26)33-8-10-36-11-9-33/h3-7,13-15,19-20H,8-12,16-18H2,1-2H3,(H,31,35)/t19-,20+

DSSTox substance ID

1 reference

matched by identifier from

SCELLOWTHJGVIC-BGYRXZFFSA-N

1 reference

matched by identifier from

SCELLOWTHJGVIC-BGYRXZFFSA-N

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