Gantofiban supplier | CasNO.183547-57-1

Name
Gantofiban
EINECS
CAS No. 183547-57-1
Density 1.399 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₉N₅O₆
Boiling Point 632.293 °C at 760 mmHg
Molecular Weight 447.4849
Flash Point 336.199 °C
Transport Information
Appearance
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Gantofiban [INN];4-(((5R)-3-(p-(Carboxyamidino)phenyl)-2-oxo-5-oxazolidinyl)methyl)-1-piperazineacetic acid, 1-ethyl methyl ester.;(E)-[amino-[4-[(5R)-2-oxo-5-[[4-(propoxycarbonylmethyl)piperazin-1-yl]methyl]oxazolidin-3-yl]phenyl]methylidene]carbamic acid;
PSA 138.00000
LogP 1.60700

Gantofiban Specification

The Gantofiban, with CAS registry number 183547-57-1, has the systematic name of [(Z)-amino{4-[(5R)-2-oxo-5-{[4-(2-oxo-2-propoxyethyl)piperazin-1-yl]methyl}-1,3-oxazolidin-3-yl]phenyl}methylidene]carbamic acid. And the chemical formula of this chemical is C₂₁H₂₉N₅O₆.

Physical properties of Gantofiban: (1)ACD/LogP: 0.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 11; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 138 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 114.521 cm³; (15)Molar Volume: 319.927 cm³; (16)Polarizability: 45.399×10^-24cm³; (17)Surface Tension: 58.176 dyne/cm; (18)Density: 1.399 g/cm³; (19)Flash Point: 336.199 °C; (20)Enthalpy of Vaporization: 98.266 kJ/mol; (21)Boiling Point: 632.293 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2O[C@@H](CN2c1ccc(C(=N\C(=O)O)\N)cc1)CN3CCN(CC(=O)OCCC)CC3
(2)InChI: InChI=1/C21H29N5O6/c1-2-11-31-18(27)14-25-9-7-24(8-10-25)12-17-13-26(21(30)32-17)16-5-3-15(4-6-16)19(22)23-20(28)29/h3-6,17H,2,7-14H2,1H3,(H2,22,23)(H,28,29)/t17-/m1/s1
(3)InChIKey: FVKDKMMIWAKRHS-QGZVFWFLBC
(4)Std. InChI: InChI=1S/C21H29N5O6/c1-2-11-31-18(27)14-25-9-7-24(8-10-25)12-17-13-26(21(30)32-17)16-5-3-15(4-6-16)19(22)23-20(28)29/h3-6,17H,2,7-14H2,1H3,(H2,22,23)(H,28,29)/t17-/m1/s1
(5)Std. InChIKey: FVKDKMMIWAKRHS-QGZVFWFLSA-N

Product Name

Gantofiban

Gantofiban Specification

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