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)

HCID 22502CAS 6130-64-9

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

6130-64-9CrysticillinDuracillinBactracillin GPenicillin G procaine [USP]Penicillin G procaine (USP)DTXSID402102074-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)RefChem:1071626DTXCID00132698Procaine penicillinProcaine penicillin G hydrate
Weitere Namen anzeigen
Penicillin G procaine salt hydrate,Benzylpenicillin procaine salt, Procaine penicilline G hydrateD02461mylipenneoprocwycillinafsillinkabipeninpen-fiftycilicaine
Procaine penicillin G monohydratePenicillin G procaine hydrateProcaine penicilline G hydratePenicillin 100Benzylpenicillin procaine monohydrateBenzoic acid, 4-amino-, 2-(diethylamino)ethyl ester, mono((2S,5R,6R)-3,3-dimethyl-7-oxo-6-((phenylacetyl)amino)-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylate), monohydratePenicillin G procaine (hydrate)Despacilina

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

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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 · 1 Eintrag

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 CategoriesSkin Sens. 1 (99.4%)

Toxikologische Informationen

Adverse Effects · 1 Eintrag

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

Chemie und Industrie

Anwendungen · 1 Eintrag

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.

Anbieter50 Anbieter

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