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Tolterodine

HCID 178875822
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
851789-45-2
표준 SMILES
Cc1ccc(O)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1
InChIKey
OOGJQPCLVADCPB-HXUWFJFHSA-N
분자식
C22H31NO
평균 분자량
325.5 g/mol

개요

Tolterodine is a tertiary amine. It has a role as a muscarinic antagonist, a muscle relaxant and an antispasmodic drug. It is functionally related to a p-cresol.

이름 및 식별자

우선 이름
Tolterodine
IUPAC
2-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
영어명
Tolterodine Impurity 3
분자식
C30H30O6S2
분자량
550.69

이름 및 동의어

tolterodine124937-51-5(+)-TolterodineTolterodinumKabi 2234TolterodinaKabi-22342-[(1R)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenolWHE7A56U7K(+)-(R)-2-(alpha-(2-(Diisopropylamino)ethyl)benzyl)-p-cresolCHEBI:96222-[(1R)-3-[bis(propan-2-yl)amino]-1-phenylpropyl]-4-methylphenol
이름 더 보기
Tolterodine Impurity 3Benzenepropanol, 5-methyl-2-[[(4-methylphenyl)sulfonyl]oxy]-γ-phenyl-, 1-(4-methylbenzenesulfonate)
Detrusitol xlEfflosomyl xlMariosea xlPreblacon xlSantizor xl2-((1R)-3-(bis(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol2-((1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl)-4-methylphenol2-[(1R)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol

데이터베이스 식별자

CAS
851789-45-2
ChEMBL
CHEMBL1382
ChEBI
CHEBI:9622
UNII
WHE7A56U7K
EC Number
805-304-4
Nikkaji
J561.859B

물성

구조 계산 물성

XLogP
5.6
극성 표면적
23.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
2
회전 가능 결합 수
7
무거운 원자 수
24
형식 전하
0
복잡도
340

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Listed in ZINC15
LogP5.6
Solubility5.34e-03 g/L
Human DrugsBreast Feeding; Lactation; Milk, Human; Muscarinic Antagonists; Parasympatholytics
Endocrine DisruptorsPotential endocrine disrupting compound
Physical DescriptionSolid
Dissociation Constants9.8
Collision Cross Section182.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]

물리화학적 성질

끓는 점
716.3 · 716.3±60.0 °C(Predicted)
밀도
1.258 · 1.258±0.06 g/cm3(Predicted)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

Danger

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

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 3 (100%)

독성 정보

Hepatotoxicity · 1건

In multiple randomized controlled trials of tolterodine in patients with overactive bladder syndrome, serum aminotransferase and alkaline phosphatase elevations were not common, arising in less than 1% of treated subjects and in a similar proportion of placebo recipients. In these clinical trials there were no reports of clinically apparent liver injury or jaundice. Since the approval of tolterodine in 1998 and its widescale use (with more than 1 million prescriptions filled yearly in the United States), there has been only one published case report of liver injury with symptoms and jaundice attributed to its use (Case 1). Thus, acute symptomatic liver injury due to tolterodine must be very rare, if it occurs at all.

Adverse EffectsAdverse effects of tolterodine are significantly lower than that of other antimuscarinic drugs indicated for the same use.
Toxicity Summary · 1건

To prevent toxicity, patients with hepatic impairment should be given a lower dose since the drug's elimination is lower than that of healthy patients. Additionally, tolterodine demonstrated higher concentrations in patients with renal impairment. Therefore, recommendations include a decrease in drug dosage in both patients with hepatic or renal impairment.

Drug Induced Liver Injury · 5건

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

tolterodine

DILI Negative

Oral

DOI:10.1016/j.drudis.2019.09.022

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

ATC Code · 3건

G04BD07

G - Genito urinary system and sex hormones

QG - Genito urinary system and sex hormones

Protein BindingApproximately 96.3%.
Pharmacodynamics · 1건

Tolterodine is a competitive muscarinic receptor antagonist. Both urinary bladder contraction and salivation are mediated via cholinergic muscarinic receptors. After oral administration, tolterodine is metabolized in the liver, resulting in the formation of the 5-hydroxymethyl derivative, a major pharmacologically active metabolite. The 5-hydroxymethyl metabolite, which exhibits an antimuscarinic activity similar to that of tolterodine, contributes significantly to the therapeutic effect. Both tolterodine and the 5-hydroxymethyl metabolite exhibit a high specificity for muscarinic receptors, since both show negligible activity or affinity for other neurotransmitter receptors and other potential cellular targets, such as calcium channels. Tolterodine has a pronounced effect on bladder function. The main effects of tolterodine are an increase in residual urine, reflecting an incomplete emptying of the bladder, and a decrease in detrusor pressure, consistent with an antimuscarinic action on the lower urinary tract.

Mechanism of Action · 1건

Both tolterodine and its active metabolite, 5-hydroxymethyltolterodine, act as competitive antagonists at muscarinic receptors. This antagonism results in inhibition of bladder contraction, decrease in detrusor pressure, and an incomplete emptying of the bladder.

Biological Half-Life1.9-3.7 hours
Metabolism/MetabolitesTolterodine has known human metabolites that include 5-Hydroxymethyl tolterodine and N-Dealkylated tolterodine.
FDA Pharmacological Classification · 6건

WHE7A56U7K

TOLTERODINE

Established Pharmacologic Class [EPC] - Cholinergic Muscarinic Antagonist

Mechanisms of Action [MoA] - Cholinergic Muscarinic Antagonists

Tolterodine is a Cholinergic Muscarinic Antagonist. The mechanism of action of tolterodine is as a Cholinergic Muscarinic Antagonist.

TOLTERODINE

MeSH Pharmacological Classification · 2건

Drugs that bind to but do not activate MUSCARINIC RECEPTORS, thereby blocking the actions of endogenous ACETYLCHOLINE or exogenous agonists. Muscarinic antagonists have widespread effects including actions on the iris and ciliary muscle of the eye, the heart and blood vessels, secretions of the respiratory tract, GI system, and salivary glands, GI motility, urinary bladder tone, and the central nervous system.

Drugs used in the treatment of urological conditions and diseases such as URINARY INCONTINENCE and URINARY TRACT INFECTIONS.

Absorption, Distribution and Excretion · 2건

Following administration of a 5-mg oral dose of 14C-tolterodine solution to healthy volunteers, 77% of radioactivity was recovered in urine and 17% was recovered in feces in 7 days.

113 ± 26.7 L

Cellular LocationsMembrane

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >50

공급사2 곳

济南百隆化学有限公司[email protected] · [email protected]
深圳市祥根生物医药有限公司0755-28967200 13631290199 · [email protected]

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