Butetamate citrate

Base Information

• Chemical Name: Butetamate citrate
• CAS No.: 13900-12-4
• Molecular Formula: C22H33NO9
• Molecular Weight: 455.5
• Hs Code.: 2922500090
• European Community (EC) Number: 237-671-6
• NSC Number: 11781
• UNII: 70430R0X79
• DSSTox Substance ID: DTXSID40930276
• Wikidata: Q27265823
• ChEMBL ID: CHEMBL1516619
• Mol file: 13900-12-4.mol

Synonyms:Butetamate citrate;13900-12-4;Butethamate citrate salt;2-DIETHYLAMINOETHYL 2-PHENYLBUTYRATE CITRATE SALT;2-(Diethylamino)ethyl 2-phenylbutanoate 2-hydroxypropane-1,2,3-tricarboxylate(1:x);MLS000069529;EINECS 237-671-6;2-(diethylamino)ethyl 2-phenylbutanoate;2-hydroxypropane-1,2,3-tricarboxylic acid;NSC-11781;3639-12-1;SMR000058633;70430R0X79;Convenil;2-(Diethylamino)ethyl 2-phenylbutanoate 2-hydroxypropane-1,2,3-tricarboxylate;Diethyl(2-(2-phenylbutyroyloxy)ethyl)ammonium dihydrogen citrate;Diethyl[2-(2-phenylbutyroyloxy)ethyl]ammonium dihydrogen citrate;Heliphenicol (TN);Opera_ID_627;SCHEMBL317018;BUTETHAMATE CITRATE [MI];CHEMBL1516619;REGID_for_CID_117176;C16H25NO2.xC6H8O7;DTXSID40930276;HMS2233L21;HMS3369N04;UNII-70430R0X79;BUTETAMATE CITRATE [MART.];AMY31895;BUTETAMATE CITRATE [WHO-DD];NSC11781;MFCD00035572;NSC 11781;AKOS024319080;beta-Diethylaminoethyl-2-phenylbutyrate;AS-74754;C16-H25-N-O2.x-C6-H8-O7;Butethamate citrate salt, analytical standard;CS-0358831;FT-0636977;D07502;D83895;J-007208;.beta.-(Diethylamino)ethyl ethylphenylacetate citrate;Q27265823;Butyric acid, 2-(diethylamino)ethyl ester, citrate (1:1);Butyric acid, 2-phenyl-, 2-(diethylamino)ethyl ester, citrate;2-(Diethylamino)ethyl2-phenylbutanoate2-hydroxypropane-1,2,3-tricarboxylate(1:x);2-Hydroxypropane-1,2,3-tricarboxylic acid--2-(diethylamino)ethyl 2-phenylbutanoate (1/1);Benzeneacetic acid, .alpha.-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate;Benzeneacetic acid, .alpha.-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Benzeneacetic acid, .alpha.-ethyl-, 2-(diethylamino)ethyl ester,2-hydroxy-1,2,3-propanetricarboxylate;Benzeneacetic acid, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);Benzeneacetic acid, alpha-ethyl-, 2-(diethylamino)ethyl ester, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)

Chemical Property of Butetamate citrate

Chemical Property:

• Vapor Pressure: 1.61E-13mmHg at 25°C
• Boiling Point: 348°Cat760mmHg
• Flash Point: 110.3°C
• PSA: 161.67000
• Density: 0.99g/cm³
• LogP: 1.81670
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 14
• Exact Mass: 455.21553163
• Heavy Atom Count: 32
• Complexity: 473

Purity/Quality:

98%,99%, ^*data from raw suppliers

Butethamate citrate salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C1=CC=CC=C1)C(=O)OCCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
• Uses: Butethamate Citrate Salt is a reagent used in the identification of atropinelike drugs.