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AG005GDZ

81110-73-8 | Racecadotril

AG005GDZ

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CAS Number	81110-73-8
Catalog Number	AG005GDZ(AGN-PC-0JL41Q)
Chemical Name	Racecadotril
IUPAC Name	benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate
InChI	InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)
InChI Key	ODUOJXZPIYUATO-UHFFFAOYSA-N
MDL Number	MFCD00865520
Molecular Formula	C21H23NO4S
Molecular Weight	385.4766
NSC Number	759828
SMILES	O=C(OCC1=CC=CC=C1)CNC(C(CC2=CC=CC=C2)CSC(C)=O)=O
Synonyms	acetorphan, acetorphan, (R)-isomer, acetorphan, (S)-isomer, ecadotril, N-(3-acetylmercapto-2-benzylpropanoyl)glycine benzyl ester, racecadotril, retorphan, sinorphan, Racecadotril, 81110-73-8, Acetorphan, Benzyl 2-(3-(acetylthio)-2-benzylpropanamido)acetate, Racecadotril [INN], Racecadotril (Acetorphan), MFCD00865520, Racecadotril (INN), AK-72817, CPD000449320, (+-)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester, Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-,phenylmethyl ester [CAS], C21H23NO4S, (S)-Benzyl 2-(3-(acetylthio)-2-benzylpropanamido)acetate, benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate, (+-)-N-(alpha-(Mercaptomethyl)hydrocinnamoyl)glycine, benzyl ester, acetate (ester), 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid (phenylmethyl) ester, Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (+-)-, SMR000449320, CADOTRIL, REDOTIL, SR-01000759384, Racecadotril [INN:BAN], Hidrasec (TN), Prestwick_926, Tiorfan (TN), ZEDOTT, PubChem18214, Racecadotril(Acetorphan), Prestwick0_000626, Prestwick1_000626, Prestwick2_000626, Prestwick3_000626, AC1L32OP, AC1Q68VE, (+/-)-ACETORPHAN, BSPBio_000592, MLS000758279, MLS001423958, MLS006010032, SCHEMBL373243, SPBio_002811, BPBio1_000652, benzyl 2-[[(2S)-2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate, benzyl n-[3-(acetylsulfanyl)-2-benzylpropanoyl]glycinate, CHEMBL2103772, CHEBI:91508, CTK8B4403, Racecadotril, >=98% (HPLC), ODUOJXZPIYUATO-UHFFFAOYSA-N, HMS1569N14, HMS2051K05, HMS2090L07, HMS2096N14, HMS2232F17, HMS3370B22, HMS3393K05, HMS3656C10, HMS3713N14, Pharmakon1600-01502331, BCP22637, KS-00000H0Z, ANW-44918, NSC759828, s2503, AKOS015894948, AB07493, AC-1133, AN-6545, CCG-100764, CCG-213824, CS-1127, DB11696, HS-0029, NC00014, NSC-759828, NCGC00179511-01, NCGC00179511-04, BC208829, BR-72817, CC-34204, HY-17399, LS-72246, SAM001247060, SC-46074, AB0007509, AB2000608, AX8150197, TR-025540, FT-0602523, R0103, ST24031603, SW197043-4, D08464, W-5137, 110R738, A840045, C-21435, benzyl (3-(acetylthio)-2-benzylpropanoyl)glycinate, I06-0039, SR-01000759384-4, SR-01000759384-5, Benzyl N-[3-(Acetylthio)-2-benzylpropionyl]glycinate, BRD-A08187463-001-03-8, N-[3-Acetylthio-2-benzylpropanoyl]glycine benzyl ester, N-(3-acetylmercapto-2-benzylpropanoyl)glycine benzyl ester, N-[3-(Acetylthio)-2-benzylpropionyl]glycine Benzyl Ester, Racecadotril, European Pharmacopoeia (EP) Reference Standard, (RS)-BENZYL N-[3-(ACETYLTHIO)-2-BENZYLPROPANOYL]GLYCINATE, benzyl 2-{2-[(acetylsulfanyl)methyl]-3-phenylpropanamido}acetate, benzyl 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate, (2-ACETYLSULFANYLMETHYL-3-PHENYL-PROPIONYLAMINO)-ACETIC ACID BENZYL ESTER, (phenylmethyl) 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate, Racecadotril for peak identification, European Pharmacopoeia (EP) Reference Standard, Retorphan, Sinorphan, Tiorfan, ECADOTRIL, UNII-76K53XP4TO, 76K53XP4TO, C21-H23-N-O4-S, AR-1H9544, CID107751, ACN-034419, CS-O-11730, 112573-73-6, N-[(R,S)-3-acetylthio-2-benzylpropanoyl]glycine benzyl ester, Racecadotril, 98%, a potent enkephalinase inhibitor - 1g 1g, N-[2-[(Acetylthio)methyl]-1-oxo-3-phenylpropyl]glycine phenylmethyl ester, 85581-65-3,

Complexity	485
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	385.135g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	385.478g/mol
Monoisotopic Mass	385.135g/mol
Rotatable Bond Count	11
Topological Polar Surface Area	97.8A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code	UN 3077

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CERTIFICATE OF ANALYSIS

Chemical Name:	Batch Number:
Chemical Structure:	CAS Registry No:
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	Manufacture Date:
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Analysis Data:

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Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited