Grundinformationen
- Standard-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- Summenformel
- C29H40N4O7S
- Durchschnittliche Molmasse
- 588,7 g/mol
- Monoisotopische Masse
- 588,26177062
Namen und Bezeichner
- Bevorzugter Name
- 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)
- IUPAC
- 2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;hydrate
- Englischer Name
- Procaine penicilline G hydrate
- Summenformel
- C29H38N4O6S
- Molmasse
- 570.71
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6130-64-9- PubChem CID
- 22502
- DTXSID
DTXSID40210207- ChEMBL
CHEMBL1200936- UNII
- 17R794ESYN
- EC Number
- 612-112-2
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 169 Ų
- H-Brücken-Donoren
- 4
- H-Brücken-Akzeptoren
- 10
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 752
Physikochemische Eigenschaften
- Schmelzpunkt
- 106 · 106-110° (with decompn)
- Dichte
- 1.255 · 1.255-1.256
- storage temp.
- Refrigerator
- Löslichkeit
- Slightly soluble in water, sparingly soluble in ethanol (96 per cent).
- Aggregatzustand
- Solid
- Farbe
- White to Off-White
- Major Application
- 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 · 6130-64-9(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.6% (1 of 156) of reports.
Danger
H317 (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.
Gefahrenhinweise
Other Safety Information
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
Toxikologische Informationen
Adverse Effects
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.
Sicherheitsdaten
- wgk
- WGK 1
- hs_code
- 2941102000
- RTECS-Nr.
- XH9450000
- risk_code
- 42/43
- Toxizität
- LD50 s.c. in mice: 2.3 g/kg (Soehring)
- hazard_code
- Xn
- safety_code
- 36
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Anwendungen
VerwendenProcaine 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.
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