CISAPRIDE MONOHYDRATE

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	RACEMIC
Molecular Formula	C23H29ClFN3O4.H2O
Molecular Weight	483.961
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CISAPRIDE MONOHYDRATE

Structure Search

SMILES

O.CO[C@H]1CN(CCCOC2=CC=C(F)C=C2)CC[C@H]1NC(=O)C3=C(OC)C=C(N)C(Cl)=C3

InChI

InChIKey=QBYYXIDJOFZORM-LBPAWUGGSA-N

InChI=1S/C23H29ClFN3O4.H2O/c1-30-21-13-19(26)18(24)12-17(21)23(29)27-20-8-10-28(14-22(20)31-2)9-3-11-32-16-6-4-15(25)5-7-16;/h4-7,12-13,20,22H,3,8-11,14,26H2,1-2H3,(H,27,29);1H2/t20-,22+;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C23H29ClFN3O4
Molecular Weight	465.945
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:01:51 UTC 2023` Edited by `admin` on `Fri Dec 15 16:01:51 UTC 2023`
Record UNII	VZV0A4I38W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CISAPRIDE MONOHYDRATE

Common Name

English

BENZAMIDE, 4-AMINO-5-CHLORO-N-((3R,4S)-1-(3-(4-FLUOROPHENOXY)PROPYL)-3-METHOXY-4-PIPERIDINYL)-2-METHOXY-, HYDRATE (1:1), REL-

Common Name

English

CISAPRIDE MONOHYDRATE [MI]

Common Name

English

CISAPRIDE MONOHYDRATE [ORANGE BOOK]

Common Name

English

PROPULSID

Brand Name

English

CISAPRIDE [MART.]

Common Name

English

Cisapride monohydrate [WHO-DD]

Common Name

English

BENZAMIDE, 4-AMINO-5-CHLORO-N-(1-(3-(4-FLUOROPHENOXY)PROPYL)-3-METHOXY-4-PIPERIDINYL)-2-METHOXY-, CIS MONOHYDRATE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C47794

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

Code System Code Type Description

NCI_THESAURUS

C87207

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

PRIMARY

EPA CompTox

DTXSID60948954

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

PRIMARY

EVMPD

SUB01318MIG

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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CAS

260779-88-2

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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ChEMBL

CHEMBL1729

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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PUBCHEM

6917697

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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DRUG BANK

DBSALT001018

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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RXCUI

221077

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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RxNorm

FDA UNII

VZV0A4I38W

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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DAILYMED

VZV0A4I38W

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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SMS_ID

100000091909

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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WIKIPEDIA

Cisapride monohydrate

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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MERCK INDEX

m3585

Created by admin on Fri Dec 15 16:01:51 UTC 2023 , Edited by admin on Fri Dec 15 16:01:51 UTC 2023

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Merck Index

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ANHYDROUS->SOLVATE

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ACTIVE MOIETY