プロカインペニシリンG水和物

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

基本情報

標準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
分子式
C29H40N4O7S
平均分子量
588.7 g/mol
単同位体質量
588.26177062

名称と識別子

優先名称
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
現地名
プロカインペニシリンG水和物
英語名
Procaine penicilline G hydrate
分子式
C29H38N4O6S
分子量
570.71

名称と別名

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
名称をさらに表示
プロカインペニシリンG水和物ペニシリンGプロカインペニシリンGプロカイン塩プロカインペニシリンG・水和物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

データベース識別子

CAS
6130-64-9
PubChem CID
22502
DTXSID
DTXSID40210207
ChEMBL
CHEMBL1200936
UNII
17R794ESYN
EC Number
612-112-2

物性

構造計算による物性

極性表面積
169 Ų
水素結合供与体数
4
水素結合受容体数
10
回転可能結合数
11
重原子数
41

物理化学的性質

融点
106 · 106-110° (with decompn)
比重(密度)
1.255 · 1.255-1.256
貯蔵温度
Refrigerator
溶解性
水に溶けにくく、エタノールに溶けにくい(96%)。
外見
Solid
色
ホワイトからオフホワイト

化学的性質

化学的特性White Solid

安全と法規制

GHS分類

GHS Classification · 5 件

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.

危険有害性情報

Other Safety Information · 1 件

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%)

毒性情報

Adverse Effects · 1 件

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.

安全データ

wgk
WGK 1
rtecs
XH9450000
毒性
LD50 s.c. in mice: 2.3 g/kg (Soehring)
hs_code
2941102000
risk_code
42/43
hazard_code
Xn

化学と産業

応用分野 · 1 件

使用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.

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
艾吉析科技(上海)有限公司17717235263 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

関連反応

2 件

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