CAS 69-53-4 MFCD00005175-Ampicillin 氨苄青霉素 -LabNovo

Ampicillin 氨苄青霉素

CAS 69-53-4 MFCD00005175

化学结构图

SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O

化学属性

Mol. Formula	C16H19N3O4S
Mol. Weight	349.40
Melting Point	208

别名和识别编码

Chemical Name	Ampicillin
Synonym	(2S,5R,6R)-6-((R)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (Piperacillin Impurity) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
CAS Number	69-53-4
PubChem Substance ID	6249
EC Number	200-709-7
Beilstein Registry Number	1090925
MDL Number	MFCD00005175
Chemical Name Translation	氨苄青霉素
InChIKey	AVKUERGKIZMTKX-NJBDSQKTSA-N
Wiswesser Line Notation	T45 ANV ESTJ CMVYZR& F1 F1 GVQ -D
LabNetwork Molecule ID	LN01264909
InChI	InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1
Canonical SMILES	O=C1[C@](NC([C@H](N)C2=CC=CC=C2)=O)([H])[C@]3([H])N1[C@@H](C(O)=O)C(C)(C)S3

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分类

{SA} 1694 Pharmaceuticals & Personal Care Products, A - K, Analytical Standards, Analytical/Chromatography, Antibacterial, Antibiotics,
1694 Pharmaceuticals & Personal Care Products, A - K, Analytical Standards, Analytical/Chromatography, Antibacterial, Antibiotics, Antibiotics A to Z, Antibiotics A-F, Antibiotics by Application, Chemical Structure Class, EPA, Genetic Marker Selection, Interferes with Cell Wall Synthesis, Mechanism of Action, Method Specific, Neats, Penicillins and Cephalosporins (beta-Lactams), Spectrum of Activity
{SNA} 1694 Pharmaceuticals & Personal Care Products,
{SNA} A - K

安全信息

GHS Symbol

WGK Germany2

Hazard Codes Xn

Hazard statements

H315 Causes skin irritation 会刺激皮肤
H317 May cause an allergic skin reaction 可能导致皮肤过敏
H319 Causes serious eye irritation 严重刺激眼睛
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled 吸入可能导致过敏或哮喘症状或呼吸困难
H335 May cause respiratory irritation 可能导致呼吸道刺激

Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves

RTECSXH8350000

Precautionary statements

P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
P305+P351+P338
P342+P311

Signal word Danger

Safety Statements

S22 Do not breathe dust 不要吸入粉尘；
S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套；

Risk Statements

R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
R42/43

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Parenteral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >3 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,114,1995

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 6200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,88,1990

TYPE OF TEST            : LD50 - Let

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Unreported
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 28 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   GISAAA Gigiena i Sanitariya.  For English translation, see HYSAAV.  (V/O
   Mezhdunarodnaya Kniga, 113095 Moscow, USSR)  V.1-    1936-
   Volume(issue)/page/year: 42(9),10,1977

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intracerebral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION

TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >5 gm/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BMJOAE British Medical Journal.  (British Medical Assoc., BMA House,
   Tavistock Sq., London WC1H 9JR, UK)  V.1-    1857- Volume(issue)/page/year:
   2,197,1961

{haz

TYPE OF TEST            : DNA damage
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 100 ug/L
REFERENCE :
   KHFZAN Khimiko-Farmatsevticheskii Zhurnal.  Chemical Pharmaceutical Journal.
    For English translation, see PCJOAU.  (V/O Mezhdunarodnaya Kniga, 113095
   Moscow, USSR)  V.1-    1967-  Volume(issue)/page/year: 16(10),11,1982

TYPE OF TEST            : Cytogenetic analysis
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 28 mg/L
REFERENCE :
   HUTODJ Human Toxicology.  (Macmillan Press Ltd., Houndmills, Basingstoke,
   Hants., RG 21 2XS, UK) V.1-    1981-  Volume(issue)/page/year: 3,173,1984

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Microorganism - not otherwise specified
DOSE/DURATION           : 5 ug/plate
REFERENCE :
   ZMMPAO Zentralblatt fuer Bakteriologie, Parasitenkunde,
   Infektionskrankheiten und Hygiene, Abteilung 1: Originale, Reihe A:
   Medizinische Mikrobiologie und Parasitologie.  (Stuttgart, Fed. Rep. Ger.)
   V.217-245, 1971-79.  Volume(issue)/page/year: 231,369,1975

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 mg/L
REFERENCE :
   NATUAS Nature.  (Nature Subscription Dept., POB 1018, Manasguan, NJ 08736)
   V.1-    1869-  Volume(issue)/page/year: 271,385,1978

TYPE OF TEST            : Phage inhibition capacity
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 10 ng/plate
REFERENCE :
   CNREA8 Cancer Research. (Public Ledger Building, Su

TYPE OF TEST            : DNA repair
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 20 ug/disc
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 97,1,1982

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 2500 mg/kg
SEX/DURATION            : female 4-13 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Effects on Embryo or Fetus - extra-embryonic structures
   (e.g., placenta, umbilical cord)
   Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death,
   e.g., stunted fetus)
   Reproductive - Effects on Embryo or Fetus - fetal death
REFERENCE :
   BEXBAN Bulletin of Experimental Biology and Medicine (English Translation).
   Translation of BEBMAE. (Plenum Pub. Corp., 233 Spring St., New York, NY
   10013)  V.41-    1956-  Volume(issue)/page/year: 91,169,1981

Ampicillin 氨苄青霉素

CAS 69-53-4 MFCD00005175

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