(Q72493264)

English

Mosapride citrate dihydrate

chemical compound

4-Amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide citrate dihydrate

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instance of

type of chemical entity

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subclass of

chemical compound

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chemical formula

C₂₇H₃₇ClFN₃O₁₂

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCOc1cc(N)c(Cl)cc1C(O)=NCC1CN(Cc2ccc(F)cc2)CCO1.O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2

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InChIKey

KVKIQHMTGSGTFO-UHFFFAOYSA-N

1 reference

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mapping relation type

exact match

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matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C21H25ClFN3O3.C6H8O7.2H2O/c1-2-28-20-10-19(24)18(22)9-17(20)21(27)25-11-16-13-26(7-8-29-16)12-14-3-5-15(23)6-4-14;7-3(8)1-6(13,5(11)12)2-4(9)10;;/h3-6,9-10,16H,2,7-8,11-13,24H2,1H3,(H,25,27);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2

DSSTox substance ID

DTXSID10979874

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matched by identifier from

InChIKey

KVKIQHMTGSGTFO-UHFFFAOYSA-N

EC number

811-513-1

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stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.242.082

retrieved

29 December 2019

title

4-Amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide citrate dihydrate (English)

quotation

CAS no.: 156925-25-6 (English)

ECHA Substance Infocard ID

100.242.082

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.242.082

retrieved

29 December 2019

title

4-Amino-5-chloro-2-ethoxy-N-[[4-[(4-fluorophenyl)methyl]morpholin-2-yl]methyl]benzamide citrate dihydrate (English)

quotation

CAS no.: 156925-25-6 (English)

UNII

73033I28Y6

1 reference

matched by identifier from

InChIKey

KVKIQHMTGSGTFO-UHFFFAOYSA-N

(Q72493264)

Mosapride citrate dihydrate

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