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C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trione, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302
Physical properties Key Physical Properties Value Condition Molecular Weight 263.25 - Melting Point (Experimental) 177.1-178.3 °C - Boiling Point (Predicted) 666.6±55.0 °C Press: 760 Torr Density (Predicted) 1.50±0.1 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 11.20±0.20 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C1C2=C(C=C3C(=O)CCN13)C(O)(C(=O)OC2)CC Isomeric SMILES C(C)[C@]1(O)C2=C(C(=O)N3C(=C2)C(=O)CC3)COC1=O InChI InChI=1S/C13H13NO5/c... -
L-Ornithinamide, L-valyl-N5-(aminocarbonyl)-N-[4-(hydroxymethyl) phenyl]- (9CI, ACI) H335, H319, H315, H302
Physical properties Key Physical Properties Value Condition Molecular Weight 379.45 - Boiling Point (Predicted) 715.0±60.0 °C Press: 760 Torr Density (Predicted) 1.243±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 13.75±0.46 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C(N)NCCCC(NC(=O)C(N)C(C)C)C(=O)NC1=CC=C(C=C1)CO Isomeric SMILES [C@@H](NC([C@H](C(C)C)N)=O)(C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O InChI InChI=1S/C18H29N5O4/c1-11(2)15(19)17(26)23... -
C33H39N5O6 L-Ornithinamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-valyl-N5- (aminocarbonyl)-N-[4-(hydroxymethyl)phenyl]- (9CI, ACI)
Physical properties Key Physical Properties Value Condition Molecular Weight 601.69 - Boiling Point (Predicted) 914.2±65.0 °C Press: 760 Torr Density (Predicted) 1.276±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 10.63±0.46 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)NC(C(=O)NC4=CC=C(C=C4)CO)CCCNC(=O)N)C(C)C Isomeric SMILES C(OC(N[C@H](C(N[C@H](C(NC1=CC=C(CO)C=C1)=O)CCCNC(N)=O)=O)[C@H](C)C)=O)C2C=3C(... -
C21H23N3O5 L-Ornithine, N5-(aminocarbonyl)-N2-[(9H-fluoren-9-ylmethoxy) carbonyl]- (9CI, ACI)
Physical properties Key Physical Properties Value Condition Molecular Weight 397.43 - Boiling Point (Predicted) 671.5±55.0 °C Press: 760 Torr Density (Predicted) 1.316±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 3.84±0.21 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CCCNC(=O)N Isomeric SMILES C(OC(N[C@@H](CCCNC(N)=O)C(O)=O)=O)C1C=2C(C=3C1=CC=CC3)=CC=CC2 InChI InChI=1S/C21H23N3O5/c22-20(27)23-11-5-1... -
C14H29NO3.ClH Components: 2 Component RN: 474645-22-2 Heptanoic acid, 3- methoxy-5-methyl-4-(methylamino)-, 1,1-dimethy lethyl ester, hydrochloride (1:1), (3R,4S,5S)- (ACI)
Physical properties Key Physical Properties Value Condition Molecular Weight 295.85 - Other Names and Identifiers Canonical SMILES Cl.O=C(OC(C)(C)C)CC(OC)C(NC)C(C)CC Isomeric SMILES [C@@H]([C@@H](CC(OC(C)(C)C)=O)OC)([C@H](CC)C)NC.Cl InChI InChI=1S/C14H29NO3.ClH/c1-8-10(2)13(15-6)11(17-7)9-12(16)18-14(3,4)5;/h10-11,13,15H,8-9H2,1-7H3;1H/t10-,11+,13-;/m0./s1 InChI Key JRXGCIIOQALIMZ-LWEGJDAASA-N 2 Other Names for this Substance Heptanoic acid, 3- methoxy-5-methyl-4-(methylamino)... -
C20H31NO5 Heptanoic acid, 3- hydroxy-5-methyl-4-[[(phenylmethoxy)carbonyl] amino]-, 1,1-dimethylethyl ester, [3R-(3R*,4S*,5S*)]- (9CI) H301
Physical properties Key Physical Properties Value Condition Molecular Weight 365.46 - Boiling Point (Predicted) 504.1±50.0 °C Press: 760 Torr Density (Predicted) 1.091±0.06 g/cm3 Temp: 20 °C; Press: 760 Torr pKa (Predicted) 11.82±0.46 Most Acidic Temp: 25 °C Other Names and Identifiers Canonical SMILES O=C(OCC=1C=CC=CC1)NC(C(O)CC(=O)OC(C)(C)C)C(C)CC Isomeric SMILES [C@H]([C@@H](CC(OC(C)(C)C)=O)O)(NC(OCC1=CC=CC=C1)=O)[C@H](CC)C InChI InChI=1S/C20H31NO5/c1-6-14(2)18(16(22)12-1...