CAS No.61477-96-1,Pipracil Suppliers

Products Categories

Pharmaceutical (93)
Organic Chemicals (23)
Others (12)
Reagent (5)
Materials (3)
Synthetic Flavours & Fragrances (2)
Plant Extract (1)

Basic Information

Molecular Structure:
CAS No.:	61477-96-1
Name:	Pipracil
Article Data:	8

Formula:	C₂₃H₂₇N₅O₇ S
Molecular Weight:	517.563
Synonyms:	4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylicacid,6-[[(2R)-[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,(2S,5R,6R)- (9CI);4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid,6-[[[[(4-ethyl-2,3-dioxo-1-piperazinyl)carbonyl]amino]phenylacetyl]amino]-3,3-dimethyl-7-oxo-,[2S-[2a,5a,6b(S*)]]-;Piperacillin;
EINECS:	262-811-8
Density:	1.51 g/cm³
Melting Point:	139-140ºC
Solubility:	256.8mg/L at 20℃
Appearance:	Crystalline solid
Hazard Symbols:	Xi
Risk Codes:	42/43
Safety:	36/37
PSA:	181.73000
LogP:	0.35520

Country:
Business Type:
All

Lab/Research institutions

Trading Company

Manufacturers

Other
Certificate:
Manufacturer

Enterprise Authentication

ISO

GMP

FDA

HALAL

Display:default sort
Suppiers of more reward points first

New supplier

Total:108 Page 1 of 3 1 2 3 Next>>

Post a RFQ

Cas No.:

Product Name:

Quantity:

Email:

Company name:

Valid Period:

Detailed Requirements:

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

What can I do for you?
Get Best Price

Get Best Price for 61477-96-1

Specification

The Pipracil, with the cas register number 61477-96-1, has the IUPAC name of (2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid. This is a kind of white crystalline powder and is soluble in water and carbinol, ethanol while insoluble in acetone, ethyl acetate. Besides, its product categories are including Antibiotic Explorer.

The characteristics of this kind of chemical are as follows: (1)ACD/LogP: 1.88; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): -1.1; (4)ACD/LogD (pH 7.4): -1.85; (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: 12; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 153.15; (13)Index of Refraction: 1.678; (14)Molar Refractivity: 128.46 cm³; (15)Molar Volume: 340.5 cm³; (16)Polarizability: 50.92 ×10^-24 cm³; (17)Surface Tension: 80.6 dyne/cm; (18)Density: 1.51 g/cm³; (19)Exact Mass: 517.163119; (20)MonoIsotopic Mass: 517.163119; (21)Topological Polar Surface Area: 182; (22)Heavy Atom Count: 36; (23)Formal Charge: 0; (24)Complexity: 982.

As to its usage, it is usually applied in pharmaceutics. It could be used as the broad-spectrum, low-toxicity third generation semisynthetic penicillin which has the better bactericidal action than the current semisynthetic penicillin; And it has good antibacterial activity to Gram-positive and GNB.

Additionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O
(2)Isomeric SMILES: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O
(3)InChI: InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
(4)InChIKey: IVBHGBMCVLDMKU-GXNBUGAJSA-N

Below are the toxicity information of this chemical:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	5gm/kg (5000mg/kg)		Yakugaku Zasshi. Journal of Pharmacy. Vol. 97, Pg. 987, 1977.