Basic information
- Standard SMILES
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O.O.O.O- InChIKey
MQXQVCLAUDMCEF-CWLIKTDRSA-N- Molecular formula
- C16H25N3O8S
- Average molar mass
- 419.5 g/mol
- Monoisotopic mass
- 419.13623576
Overview
Amoxicillin trihydrate is a hydrate that is the trihydrate form of amoxicillin; a semisynthetic antibiotic, used either alone or in combination with potassium clavulanate (under the trade name Augmentin) for treatment of a variety of bacterial infections. It has a role as an antimicrobial agent and an antibacterial drug. It contains an amoxicillin.
Names & identifiers
- Preferred name
- Amoxicillin Trihydrate
- IUPAC
- (2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;trihydrate
- English name
- Amoxicillin trihydrate
- Molecular formula
- C16H21N3O6S
- Molecular weight
- 383.42
Names & synonyms
Amoxicillin trihydrate61336-70-7AmoxipenMoxalineZimoxAmoxicillin hydrateCHEBI:51254Amoxi-DoserAmoxi-BolAmoxi-SolRobamox-VRobamox-V Tablets
Show more names
AMOXYCILLIN TRIHYDRATEAMOXICILIN TRIHYDRATEAmoxiciLAmoxicillineTrihydrateAMOXICILLIN TRIHYDRATE IPAmoxicillin trihydrate for performance verification CRSAm 7A-GramArdine
Biomox, Robamox-VAmoxi-Inject (Cattle)RefChem:54179Amoxi-Drop Oral SuspensionBiomox, Robamox-V TabletsAmoxi-Inject (Dogs and Cats)(2S,5R,6R)-6-((2R)-2-Amino-2-(4-hydroxyphenyl)acetylamino)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid trihydrateAmodex
Database identifiers
- CAS
61336-70-7- PubChem CID
- 62883
- DTXSID
DTXSID2022599- ChEBI
CHEBI:51254- UNII
- 804826J2HU
- EC Number
- 612-127-4、688-488-7、933-899-1
Properties
Computed structural properties
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 590
Experimental & physicochemical properties
Animal Drugs
Active Ingredients (Amoxicillin Trihydrate) -> FDA Greenbook
Pharmaceuticals -> UK Veterinary Medicines Directorate List
Physicochemical properties
- Melting point
- 200 °C · >200°C (dec.)
- alpha
- 20 · D20 +246° (c = 0.1)
- refractive index
- 302 ° · 302 ° (C=0.1, H2O)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- Slightly soluble in water, very slightly soluble in ethanol (96 per cent), practically insoluble in fatty oils. It dissolves in dilute acids and dilute solutions of alkali hydroxides.
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 3.4 mg/ml · Soluble in water at 3.4mg/ml.
- Merck
- 14 · 14,577
- JECFA Number
- 85 · 85
- BRN
- 7507120 · 7507120
- Major Application
- clinical testing
- InChIKey
- AIPFZZHNBUVELL-KQLYYQCPNA-N
- SMILES
- C([C@H]1C(S[C@]2([H])[C@H](NC(=O)[C@@H](C3C=CC(O)=CC=3)N)C(=O)N12)(C)C)(=O)O.O |&1:1,4,6,10,r|
- CAS DataBase Reference
- 61336 · 61336-70-7(CAS DataBase Reference)
- FDA UNII
- 804826 J2HU · 804826J2HU
- EPA Substance Registry System
- Amoxicillin trihydrate (61336-70-7)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
- 261 · P261-P272-P280-P284-P302+P352-P333+P313
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- Hazard Codes
- Xn,Xi
- Risk Statements
- 42 · 42/43
- Safety Statements
- 36 · 36-36/37-22
- WGK Germany
- 2 · 2
- RTECS
- 8300000 · XH8300000
- HS Code
- 29411000 · 29411000
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 1 Skin · Resp. Sens. 1Skin Sens. 1
- Toxicity
- 50 ipr-rat: · LD50 ipr-rat: 2870 mg/kg KSRNAM 7,3040,73
Safety & regulation
GHS classification
GHS Classification
Danger
H317 (78%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P233, P260, P261, P271, P272, P273, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P391, P403, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 182 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Hazard information
Regulatory InformationAmoxycillin trihydrate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[amino(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, trihydrate, [2S-[2.alpha.,5.alpha.,6.beta.(S*)]]-: Environment tier I assessment
Hazard Classes and Categories
Skin Sens. 1 (78%)
Skin Sens. 1 (50%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Faceshields, Gloves
- wgk
- 2
- rtecs
- XH8300000
- hs_code
- 29411000
- Toxicity
- LD50 ipr-rat: 2870 mg/kg KSRNAM 7,3040,73
- risk_code
- 42/43
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xn,Xi
- safety_code
- 36-36/37-22
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H334
- Hazard Classifications
- Resp. Sens. 1Skin Sens. 1
- Precautionary statements
- P261-P272-P280-P284-P302+P352-P333+P313
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.
Uses & manufacturing
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Veterinary Drug -> -> JECFA Functional Classes
Applications
DescriptionAmoxicillin was synthesized by Beecham Research Laboratories in 1968. A hydroxyl group was introduced on the benzene ring of ampicillin. Amoxicillin shows about a twofold higher serum concentration than ampicillin when administered orally. It was shown by double-blind comparative studies with ampicillin that amoxicillin was as effective as ampicillin when administered at half the dose of ampicillin.
UsesSemi-synthetic antibiotic related to Penicillin. Antibacterial.
UsesAmoxicillin trihydratesemi-synthetic antibiotic related to Penicillin which has antibacterial poperties. It is used for treatment of a variety of bacterial infections. It is used as a pharmaceutical product as a antibiotic agent, anti-infective drug raw materials.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Ark Pharm, Inc.847-367-3680 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
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合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
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上海将来实业股份有限公司021-61552785 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
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天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
北京诺其雅盛生物科技有限公司4000-819-385 010-62329685 13718666987
九鼎化学（上海）科技有限公司4009209199 · [email protected]
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杭州鼎燕化工有限公司0571-87157530-8003 18267553885 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
广州市齐云生物技术有限公司020-61288194 61288195 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
Additional notes
DefinitionChEBI: A hydrate that is the trihydrate form of amoxicillin; a semisynthetic antibiotic, used either alone or in combination with potassium clavulanate (under the trade name Augmentin) for treatment of a variety of bacterial infections.
Related reactions
7 records
Linked notes
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