4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1)

PROCAINE PENICILLIN · Penicillin G procaine salt hydrate,Benzylpenicillin procaine salt, Procaine penicilline G hydrate · D02461 · mylipen · neoproc · wycillin · afsillin · kabipenin

https://huagongshe.com/de/chemical/22502

Molekülstruktur von 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-(2S,5R,6R)-, compd. with 2-(diethylamino)ethyl 4-aminobenzoate, hydrate (1:1:1)

Identifikatoren & physikalische Daten

CAS No.	6130-64-9
Summenformel	C29H40N4O7S
Durchschnittliche Molmasse	588,7 g/mol
Monoisotopische Masse	588,26177062 g/mol
SMILES	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.CCN(CC)CCOC(=O)c1ccc(N)cc1.O
InChIKey	KZDCMKVLEYCGQX-UDPGNSCCSA-N
PubChem CID	22502
ChEMBL	CHEMBL1200936
EC No.	612-112-2
DTXSID	DTXSID40210207

Chemische & physikalische Eigenschaften

Polarare Oberfläche (TPSA)	169
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	10
Frei drehbare Bindungen	11
Schwere Atome	41
Formalladung	0
Komplexität	752
Schmelzpunkt	106-110° (with decompn)
Dichte	1.255-1.256
Lagerbedingungen	Refrigerator
Löslichkeit	Slightly soluble in water, sparingly soluble in ethanol (96 per cent).
Aggregatzustand	Solid
Farbe	White to Off-White
Hauptanwendungen	pharmaceutical (small molecule)
InChIKey	WHRVRSCEWKLAHX-RLWRCNEPNA-N
SMILES	C(C1C=CC(N)=CC=1)(=O)OCCN(CC)CC.C([C@H]1C(S[C@]2([H])[C@H](NC(=O)CC3C=CC=CC=3)C(=O)N12)(C)C)(=O)O \|&1:18,21,23,r\|
CAS Datenbank	6130-64-9(CAS DataBase Reference)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 0.6% (1 of 156) of reports.DangerH317 (99.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 156 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Weitere Sicherheitsinformationen	IMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(phenylacetyl)amino]- [2S-(2.alpha.,5.alpha.,6.beta.)]-, compound with 2-(diethylamino)ethyl 4-aminobenzoate (1:1), monohydrate: Environment tier I assessment
Hazard Classes and Categories	Skin Sens. 1 (99.4%)
Unerwünschte Wirkungen	Many of the most harmful adverse effects of procaine penicillin occur in the setting of inadvertent intravascular administration. These include cardiac conduction disturbance and neurologic sequelae, including tonic-clonic seizure, as well as permanent neurovascular damage in the form of conditions such as transverse myelitis and gangrene requiring digital and even proximal extremity amputation. Other adverse events noted have included necrosis and sloughing at the injection site and transient psychiatric disturbance. The latter is most often observed when administering very high doses, such as 4.8 million IM units. A syndrome related to procaine known as Hoigne syndrome has been described to include confusion, combativeness, seizures, anxiety, and a sense of impending death. Hoigne syndrome symptoms last 15 to 30 minutes with resolution as the natural course. Treatment centers on symptomatic control.
Wassergefährdungsklasse (WGK)	WGK 1
Zollcode	2941102000
RTECS-Nr.	XH9450000
R-Sätze (R)	42/43
Toxizität	LD50 s.c. in mice: 2.3 g/kg (Soehring)
Gefahrensymbole	Xn
Sicherheitshinweise (S)	36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Skin Sens. 1

Anwendungen & Verwendung

Verwenden

Procaine penicilline G hydrate is a composed of the β-lactam antibiotic of Penicillin G and the sodium channel blocker Procaine. As an antibiotic, Penicillin G is noted to posses effectiveness mainly against gram-positive organisms. Procaine Penicillin G is used a growth stimulant for poultry.