Products Categories
| CAS No.: | 67135-13-1 |
|---|---|
| Name: | LAS 17177 |
| Molecular Structure: | |
|
|
|
| Formula: | C25H34N4O8 |
| Molecular Weight: | 402.4873 |
| Synonyms: | Benzamide, 4-amino-N-(1-(3-cyclohexen-1-ylmethyl)-4-piperidinyl)-2-ethoxy-5-nitro-, (E)-2-butenedioate (1:1);Cinitapride hydrogen tartrate;Cidine;4-amino-N-[1-(1-cyclohex-3-enylmethyl)-4-piperidyl]-2-ethoxy-5-nitro-benzamide; but-2-enedioic acid; |
| Density: | 1.24 g/cm3 |
| Boiling Point: | 579.8 °C at 760mmHg |
| Flash Point: | 304.5 °C |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 73441-42-6METHYL-5-CHLORO-2,2-DIMETHYLVALERATE
- 68439-39-4Poly(oxy-1,2-ethanediyl), alpha-(2-ethylhexyl)-omega-hydroxy-,
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- Total:17 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
This chemical is called LAS 17177, and its systematic name is 4-amino-N-[1-(cyclohex-3-en-1-ylmethyl)piperidin-4-yl]-2-ethoxy-5-nitrobenzamide. With the molecular formula of C21H30N4O4. The CAS registry number of this chemical is 67135-13-1. Additionally, its classification code is drug / Therapeutic Agent.
Other characteristics of the chemical can be summarised as followings:(1)ACD/LogP: 3.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.06; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 29.03; (7)ACD/KOC (pH 5.5): 4.66; (8)ACD/KOC (pH 7.4): 171.44; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 81.84 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 111.02 cm3; (15)Molar Volume: 323.2 cm3; (16)Polarizability: 44.01× 10-24 cm3; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.24 g/cm3; (19)Flash Point: 304.5 °C; (20)Enthalpy of Vaporization: 86.75 kJ/mol; (21)Boiling Point: 579.8 °C at 760 mmHg; (22)Vapour Pressure: 1.94E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cc(c(OCC)cc1N)C(=O)NC3CCN(CC2CC\C=C/C2)CC3
2.InChI: InChI=1/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
3.InChIKey: ZDLBNXXKDMLZMF-UHFFFAOYAA
4.Std. InChI: InChI=1S/C21H30N4O4/c1-2-29-20-13-18(22)19(25(27)28)12-17(20)21(26)23-16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-4,12-13,15-16H,2,5-11,14,22H2,1H3,(H,23,26)
5.Std. InChIKey: ZDLBNXXKDMLZMF-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | oral | > 450mg/kg (450mg/kg) | Drugs of the Future. Vol. 16, Pg. 885, 1991. |