Identification CAS Number 132866-11-6 Name Lercanidipine HCL Synonyms 1,4-Dihydro-2,6-dimethyl-4-(3-nitrophenyl)-3,5-pyridinedicarboxylic acid 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester hydrochloride Zanidip Lerdip Molecular Structure SMILES Cl.[O-][N+](=O)c1cccc(c1)C4C(=C(/NC(=C4C(=O)OC(C)(C)CN(CCC(c2ccccc2)c3ccccc3)C)C)C)C(=O)OC StdInChI InChI=1S/C36H41N3O6.ClH/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27;/h7-19,22,30,33,37H,20-21,23H2,1-6H3;1H StdInChIKey WMFYOYKPJLRMJI-UHFFFAOYSA-N Molecular Formula C36H41N3O6.HCL Molecular Weight 648.19 Properties Appearance Light yellow to yellow powder Melting Point 185-190°C Boiling Point 712.5 °C at 760 mmHg Flash Point 384.7 °C Safety Data Symbol GHS06…
Glycopyrrolate CAS 596-51-0
Identification CAS Number 596-51-0 Name Glycopyrrolate Synonyms α-cyclopentylmandelic acid ester with 3-hydroxy-1,1-dimethylpyrrolidinium bromide 1-methyl-3-pyrrolidyl α-cyclopentylmandelate methobromide 1-methyl-3-pyrrolidyl α-phenyl-α-cyclopentylglycolate methobromide 3-(2-phenyl-2-cyclopentylglycoloyloxy)-1,1-dimethylpyrrolidinium bromide 3-hydroxy-1,1-dimethylpyrrolidinium bromide α-cyclopentylmandelate AHR-504 Copyrrolate Gastrodyn NSC 250836 NSC 251251 NSC 251252 NVA-237 glycopyrronium bromide Molecular Structure SMILES O=C(OC1CC[N+](C)(C)C1)C(O)(c2ccccc2)C3CCCC3 StdInChI InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1 StdInChIKey ANGKOCUUWGHLCE-UHFFFAOYSA-N EINECS 209-887-0 Molecular Formula C19H28NO3.Br Molecular Weight 398.34 MDL Number MFCD00072137…
Boc-L-AcPEC CAS 151907-80-1
Identification CAS Number 151907-80-1 Name Boc-L-AcPEC Synonyms (1R,4S)-4-(tert-Butoxycarbonylamino)cyclopent-2-ene-1-carboxylic acid (1R,4S)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic acid Molecular Structure SMILES O=C(O)[C@H]1C=C/[C@@H](NC(=O)OC(C)(C)C)C1 StdInChI InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1 StdInChIKey WOUNTSATDZJBLP-JGVFFNPUSA-N Molecular Formula C11H17NO4 Molecular Weight 227.26 Beilstein Registry Number 6177417 MDL Number MFCD00211288 Properties Appearance White powder Optical Activity [α]20/D +48.5±2°, c = 1% in methanol Refractive Index 1.515 Boiling Point 382.284 °C at 760 mmHg Flash…
Sorafenib intermediate CAS 327-78-6
Identification CAS Number 327-78-6 Name 4-Chloro-3-(trifluoromethyl)phenyl isocyanate Synonyms Intermediate of Sorafenib Molecular Structure SMILES FC(F)(F)c1cc(N=C=O)ccc1Cl StdInChI InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H StdInChIKey NBJZEUQTGLSUOB-UHFFFAOYSA-N Molecular Formula C8H3ClF3NO Molecular Weight 221.56 MDL Number MFCD00013874 Properties Appearance White to off-white crystal Refractive Index 1.487 Boiling Point 86-90 °C/14 mmHg(lit.) Melting Point 40-42 °C(lit.) Flash Point 99 °C Density 1.4 g/mL Safety Data Symbol GHS07 Signal Word Warning Hazard…
Tandutinib intermediate CAS 288383-71-1
Identification CAS Number 288383-71-1 Name 4-chloro-6-methoxy-7-(3-(piperidin-1-yl)propoxy)quinazoline Synonyms Tandutinib intermediate MLN518 CT53518 Molecular Structure SMILES Clc3ncnc2cc(OCCCN1CCCCC1)c(OC)cc23 StdInChI InChI=1S/C17H22ClN3O2/c1-22-15-10-13-14(19-12-20-17(13)18)11-16(15)23-9-5-8-21-6-3-2-4-7-21/h10-12H,2-9H2,1H3 StdInChIKey QMPMEXBHMIYNGL-UHFFFAOYSA-N Molecular Formula C17H22ClN3O2 Molecular Weight 335.83 Properties Appearance White or almost white crystalline powder Refractive Index n20/D1.583(lit.) Boiling Point 485.69 °C at 760 mmHg Flash Point 247.537 °C Density 1.215 g/ml Safety Data Symbol GHS07 Signal…
Argatroban Monohydrate CAS 141396-28-3
Identification CAS Number 141396-28-3 Name Argatroban Monohydrate Synonyms (2R,4R)-1-[(2S)-5-[(Aminoiminomethyl)amino]-1-oxo-2-[[(1,2,3,4-tetrahydro-3-methyl-8-quinolinyl)sulfonyl]amino]pentyl]-4-methyl-2-piperidinecarboxylic acid Argipidine MQPA Molecular Structure SMILES O=C(O)[C@@H]3N(C(=O)C(NS(=O)(=O)c1cccc2c1NCC(C2)C)CCC/N=C(N)N)CC[C@@H](C)C3.O StdInChI InChI=1S/C23H36N6O5S.H2O/c1-14-8-10-29(18(12-14)22(31)32)21(30)17(6-4-9-26-23(24)25)28-35(33,34)19-7-3-5-16-11-15(2)13-27-20(16)19;/h3,5,7,14-15,17-18,27-28H,4,6,8-13H2,1-2H3,(H,31,32)(H4,24,25,26);1H2/t14-,15?,17?,18-;/m1./s1 StdInChIKey AIEZTKLTLCMZIA-LINCPPCXSA-N Molecular Formula C23H36N6O5S·H2O Molecular Weight 526.65 Properties Appearance White to off-white crystalline powder Solubility DMSO: ≥20 mg/mL Boiling Point 384.6 °C at 760 mmHg Melting Point 223 ºC(lit.) Flash Point 148.9 °C Safety Data WGK…
Procarbazine hydrochloride CAS 366-70-1
Identification CAS Number 366-70-1 Name Procarbazine hydrochloride Synonyms N-(1-Methylethyl)-4-((2-methylhydrazino)methyl)benzamide hydrochloride Molecular Structure SMILES Cl.O=C(c1ccc(cc1)CNNC)NC(C)C StdInChI InChI=1S/C12H19N3O.ClH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H SydInChIKey DERJYEZSLHIUKF-UHFFFAOYSA-N Molecular Formula C12H20N3OCl Molecular Weight 257.76 EINECS Number 206-678-6 MDL Number MFCD00072082 Properties Appearance White to tan powder Solubility DMSO: ≥18 mg/mL Boiling Point 384.6 °C at 760 mmHg Melting Point 223 ºC(lit.) Flash Point 148.9 °C Safety…
Lilolidine CAS 5840-01-7
Identification CAS Number 5840-01-7 Name Lilolidine Synonyms 5,6-Dihydro-4H-pyrrolo[3,2,1-ij]quinoline 1,7-Trimethyleneindole Molecular Structure SMILES c1cc2cccc3CCCn1c23 StdInChI InChI=1S/C11H11N/c1-3-9-5-2-7-12-8-6-10(4-1)11(9)12/h1,3-4,6,8H,2,5,7H2 StdInChIKey QCCKSFHMARIKSK-UHFFFAOYSA-N Molecular Formula C11H11N Molecular Weight 157.21 Properties Appearance White sheet crystal (99%min); Grey to light brown powder(98%min) Melting Point 86.5-88 ºC(lit.) Boiling Point 318.377 °C at 760 mmHg Flash Point 146.349 °C Density 1.166 g/ml Safety Data Symbol…
1-Ferrocenylethanol CAS 1277-49-2
Identification CAS Number 1277-49-2 Name 1-Ferrocenylethanol Synonyms α-Ferrocenylethanol α-Methylferrocenemethanol (1-Hydroxyethyl)ferrocene NSC 162110 Molecular Structure SMILES CC(C1=CC=CC1[Fe]C2C=CC=C2)O StdInChI InChI=1S/C7H9O.C5H5.Fe/c1-6(8)7-4-2-3-5-7;1-2-4-5-3-1;/h2-6,8H,1H3;1-5H; SydInChIKey NJPGTUIMEAOISI-UHFFFAOYSA-N Molecular Formula C12H14FeO Molecular Weight 230.08 MDL Number MFCD00013752 Properties Appearance Yellow or off-yellow powder Melting Point 76-79 °C(lit.) Safety Data Symbol GHS07 Signal Word Warning Hazard Statements H315-H319-H335 Precautionary Statements P261-P305 + P351 + P338…
5-hydroxymethylfurfural CAS 67-47-0
Identification CAS Number 67-47-0 Name 5-Hydroxymethylfurfural Synonyms HMF 5-(Hydroxymethyl)-2-furaldehyde Molecular Structure SMILES c1cc(oc1CO)C=O StdInChI InChI=1S/C6H6O3/c7-3-5-1-2-6(4-8)9-5/h1-3,8H,4H2 StdInChIKey NOEGNKMFWQHSLB-UHFFFAOYSA-N Molecular Formula C6H6O3 Molecular Weight 126.11 EINECS Number 200-654-9 Flavis Number 13.139 Beilstein Registry Number 110889 MDL Number MFCD00003234 Properties Appearance Yellow or off-yellow powder Refractive index n20/D 1.562(lit.) Boiling Point 114-116 °C/1 mmHg(lit.) Melting Point 28-34 °C(lit.) Flash Point 79 °C Density…