Ketorolac

HCID 3826CAS 66635-83-4

기본 정보

표준 SMILES
O=C(c1ccccc1)c1ccc2n1CCC2C(=O)O
InChIKey
OZWKMVRBQXNZKK-UHFFFAOYSA-N
분자식
C15H13NO3
평균 분자량
255.27 g/mol
단동위원소 질량
255.08954328

개요

Ketorolac is a racemate comprising equimolar amounts of (R)-(+)- and (S)-()-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid. While only the (S)-() enantiomer is a COX1 and COX2 inhibitor, the (R)-(+) enantiomer exhibits potent analgesic activity. A non-steroidal anti-inflammatory drug, ketorolac is mainly used (generally as the tromethamine salt) for its potent analgesic properties in the short-term management of post-operative pain, and in eye drops to relieve the ocular itching associated with seasonal allergic conjunctivitis. It was withdrawn from the market in many countries in 1993 following association with haemorrhage and renal failure. It has a role as a non-steroidal anti-inflammatory drug, an analgesic, a cyclooxygenase 2 inhibitor and a cyclooxygenase 1 inhibitor. It contains a (R)-ketorolac and a (S)-ketorolac. It is a conjugate acid of a ketorolac(1-).

이름 및 식별자

우선 이름
Ketorolac
IUPAC
5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
영어명
Ketorolac
분자식
C15H13NO3
분자량
255.27

이름 및 동의어

ketorolac74103-06-3KetorolacoKetorolacum(+-)-Ketorolacrac-ketorolacDTXSID8023189CHEBI:6129YZI5105V0L(+-)-5-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acidDTXCID5031891H-Pyrrolizine-1-carboxylic acid, 2,3-dihydro-5-benzoyl-, (+-)-
이름 더 보기
Ketorolac acidFluoxetinAcular(S)-KetorolacDolacrs37619LixidolTm-asynToratex
5-(benzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid1H-Pyrrolizine-1-carboxylic acid, 5-benzoyl-2,3-dihydroRefChem:55433M01AB15S01BC055-Benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid66635-83-4Ketorolacum [Latin]

데이터베이스 식별자

CAS
66635-83-4、74103-06-3
PubChem CID
3826
DTXSID
DTXSID8023189
ChEMBL
CHEMBL469
ChEBI
CHEBI:6129
UNII
YZI5105V0L
EC Number
616-049-1
Nikkaji
J1.487.487I

물성

구조 계산 물성

XLogP
1.9
극성 표면적
59.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
3
무거운 원자 수
19

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals

Pharmaceuticals -> Analgesics and anti-inflammatories

LogP · 2건

2.1

2.72

Solubility5.13e-01 g/L
Human Drugs · 2건

Breast Feeding; Lactation; Milk, Human; Analgesic Agents; Anti-inflammatory Agents, Nonsteroidal

Pharmaceuticals

Melting Point · 2건

162-165 °C (tromethamine salt)

165 - 167 °C (tromethamine salt)

Physical DescriptionSolid

물리화학적 성질

녹는점
160 · 160-161°C
끓는 점
493.2 · 493.2±40.0 °C(Predicted)
밀도
1.33 · 1.33±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태
고체

화학적 성질

Light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 24-10-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19373
Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Hepatotoxicity · 1건

Prospective studies show that up to 1% of patients taking ketorolac experience at least transient serum aminotransferase elevations. These may resolve even with drug continuation. Marked aminotransferase elevations above 3 times the upper limit of normal (ULN) occur in less than 1% of patients. Clinically apparent liver injury with jaundice from ketorolac has not been described in any detail so that the latency, clinical features and prognosis of injury is unknown. Ketorolac is not mentioned as an etiologic agent in large case series on drug induced liver injury or acute liver failure from the United States. However, the antiplatelet activity of ketorolac can lead to complications mostly due to platelet dysfunction and bleeding, and several instances of hepatic rupture and subcapsular hepatic hematomas have been reported with its use which might present clinically as acute liver injury.

Adverse EffectsDrug-Drug Interactions
Toxicity Summary · 1건

High quantities or prolonged use of ketorolac can lead to hepatotoxicity and nephrotoxicity. In addition, ketorolac can cause multiple skin disorders, such as toxic epidermal necrolysis. Anaphylactic shock has been characterized due to ketorolac overdose.

Drug Induced Liver Injury · 6건

Benchmark Dataset for the Liver Toxicity Knowledge Base (LTKB)

ketorolac

Toradol®

NSAIDs

3

less-DILI-concern drugs

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

안전 데이터

ridadr
3249
독성
LD50 orally in mice: ~200 mg/kg (Rooks)
HS 번호
2933998090
포장분류
II
위험 등급
6.1(a)

화학 및 산업

약리 정보

ATC Code · 5건

S01BC05

M - Musculo-skeletal system

S - Sensory organs

QM - Musculo-skeletal system

QS - Sensory organs

Protein Binding>99% of Ketorolac is plasma protein bound.
Pharmacodynamics · 1건

Ketorolac is a non-selective NSAID and acts by inhibiting both COX-1 and COX-2 enzymes which are normally responsible for converting arachidonic acid to prostaglandins. The COX-1 enzyme is constitutively active and can be found in platelets, gastric mucosa, and vascular endothelium. On the other hand, the COX-2 enzyme is inducible and mediates inflammation, pain and fever. As a result, inhibition of the COX-1 enzyme is linked to an increased risk of bleeding and risk of gastric ulceration, while the desired anti-inflammatory and analgesic properties are linked to inhibition of the COX-2 enzyme. Therefore, despite it's effectiveness in pain management, ketorolac should not be used long-term since this increases the risk of serious adverse effects such as gastrointestinal bleeding, peptic ulcers, and perforations.

Mechanism of Action · 1건

Ketorolac inhibits key pathways in prostaglandin synthesis which is crucial to it's mechanism of action. Although ketorolac is non-selective and inhibits both COX-1 and COX-2 enzymes, it's clinical efficacy is derived from it's COX-2 inhibition. The COX-2 enzyme is inducible and is responsible for converting arachidonic acid to prostaglandins that mediate inflammation and pain. By blocking this pathway, ketorolac achieves analgesia and reduces inflammation. Ketorolac is administered as a racemic mixture; however, the "S" enantiomer is largely responsible for it's pharmacological activity.

Biological Half-Life · 1건

Ketorolac tromethamine is administered as a racemic mixture, therefore the half-life of each enantiomer must be considered. The half life of the S-enantiomer is ~2.5 hours, while the half life of the R-enantiomer is ~5 hours. Based on this data, the S enantiomer is cleared about twice as fast as the R enantiomer.

Metabolism/Metabolites · 1건

Ketorolac is heavily metabolized via hydroxylation or conjugation in the liver; however, it appears that the key metabolic pathway is glucuronic acid conjugation. Enzymes involved in phase I metabolism include CYP2C8 and CYP2C9, while phase II metabolism is carried out by UDP-glucuronosyltransferase (UGT) 2B7.

용도 및 제조

UsesUse (kg) in USA (2002): 591
Use ClassificationPharmaceuticals
응용 분야 · 2건

용도antiarrhythmic

일반 설명Ketorolac tromethamine (Toradol), marketed as a mixture of(R)- and (S)-ketorolac enantiomers, is a potent NSAID analgesicindicated for the treatment of moderately severe, acutepain. It should be noted that the pharmacokinetic dispositionof ketorolac in humans is subject to marked enantioselectivity.Thus, it is important to monitor the individual blood levelsso an accurate assessment of its therapeutic action can bemade correctly. However, it should be noted that, beingone of the conventional NSAIDs with highest risk of GIcomplications, its administration should not exceed 5 days.

공급사4 곳

四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海宣月科技有限公司15216675652 · [email protected]
上海索本生物科技有限公司15088289376;13917786310 · [email protected]

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