기본 정보
- CAS
10381-75-6- 표준 SMILES
Cn1c(=O)c2[nH]c(Br)nc2n(C)c1=O- InChIKey
SKTFQHRVFFOHTQ-UHFFFAOYSA-N- 분자식
- C7H7BrN4O2
- 평균 분자량
- 259.06 g/mol
- 단동위원소 질량
- 257.97524
이름 및 식별자
- 우선 이름
- Bromotheophylline
- IUPAC
- 8-bromo-1,3-dimethyl-7H-purine-2,6-dione
- 현지명
- 8-브로모테오필린
- 영어명
- 8-Bromotheophylline
- 분자식
- C7H7BrN4O2
- 분자량
- 259.06
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
10381-75-6- PubChem CID
- 11808
- DTXSID
DTXSID7044768- UNII
- FZG87K1MQ6
- EC Number
- 233-846-6
- Nikkaji
- J236.804H
물성
구조 계산 물성
- XLogP
- 1
- 극성 표면적
- 69.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 0
- 복잡도
- 297
실험 및 물리화학적 성질
물리화학적 성질
- 녹는점
- 295 · 295-297°C
- 끓는 점
- 469.5 · 469.5±55.0 °C(Predicted)
- 밀도
- 1.862 · 1.862±0.06 g/cm3(Predicted)
- 저장 조건
- Keep in dark place,Inert atmosphere,Room temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
- 산도 계수 (pKa)
- 5.45 · pKa 5.45±0.1(H2O t=24) (Uncertain)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- BRN
- 203069 · 203069
- EPA
- 1 H-Purine-2,6-dione, · 1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl- (10381-75-6)
화학적 성질
White Crystalline Powder
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
안전 데이터
- tsca
- TSCA listed
- ridadr
- 2811
- HS 번호
- 29395900
- risk_code
- 20/21/22
- safety_code
- 24/25-36/37
- 포장분류
- III
- 위험 등급
- 6.1(b)
화학 및 산업
약리 정보
Pharmacodynamics
Bromotheophylline diuretic action will produce an immediate increase in urination frequency. This effect aids in the relief of bloating and menstrual pain. This diuretic function is performed by the an increase in glomerular filtration and a potential effect in the tubular reabsorption as it is established that the administration of these agents produce a rise in the urinary concentration of sodium a chloride and thus, an increase in their rates of excretion.
Mechanism of Action
Bromotheophylline is part of the group of the xanthines. As part of this group, it is thought that bromotheophylline increases the permeability of the renal tubule, increases glomerular filtration rate and inhibits the sodium reabsorption in the proximal tubule. It is thought but not confirmed that pamabrom as a mixture seems to have an additional mechanism of action in which the presence of 2-amino-2-methyl-1-propanol produces the suppression of the antidiuretic hormone in the posterior pituitary gland.
Absorption, Distribution and Excretion
When administered after one single oral dosage, bromotheophylline is rapidly absorbed and it reaches a maximal plasma concentration of 2.5 mg/L in 0.78 hours. The mean residence time is registered to be of 12 hours with an AUC in the first 8 hours of 27 mg.h/L.
This pharmacokinetic property has not been determined.
This pharmacokinetic property has not been determined.
This pharmacokinetic property has not been determined.
용도 및 제조
응용 분야
용도The active component in the diuretic Diurex.
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