8-브로모테오필린

Bromotheophylline

HCID 11808

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

BromotheophyllineTheophylline, 8-bromo-1H-Purine-2,6-dione, 8-bromo-3,7-dihydro-1,3-dimethyl-UNII-FZG87K1MQ6FZG87K1MQ6EINECS 233-846-6NSC 164940NSC-1649408-BROMOTHEOPHYLLINE (USP-RS)8-BROMOTHEOPHYLLINE [USP-RS]RefChem:579298-Bromotheophylline
이름 더 보기
8-브로모테오필린Nsc164940AKOS NCG-0005LABOTEST-BB LT001345458-BROMOTHEOPHYLLINE 97%8-Bromotheophylline >8-Bromotheophylline ,97%
10381-75-68-Bromo-1,3-dimethyl-1H-purine-2,6(3H,9H)-dione8-bromo-1,3-dimethyl-7H-purine-2,6-dioneC7H7BrN4O28-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione8-bromo-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione8-bromo-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-Bromotheophyline

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

실험 및 물리화학적 성질

SolubilitySoluble
Boiling PointDecomposes at 300 ºC
Melting Point295-316 ºC
Dissociation Constants5.45

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)

화학적 성질

White Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 5건

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

Hazard Classes and CategoriesAcute Tox. 4 (100%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);STOT SE 3 (100%)

안전 데이터

tsca
TSCA listed
ridadr
2811
HS 번호
29395900
risk_code
20/21/22
safety_code
24/25-36/37
포장분류
III

화학 및 산업

약리 정보

Protein BindingThis pharmacokinetic property has not been determined.
Pharmacodynamics · 1건

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 · 1건

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.

Biological Half-LifeThe apparent elimination half-life is registered to be 21.35 hours.
Metabolism/MetabolitesThis pharmacokinetic property has not been determined.
Absorption, Distribution and Excretion · 4건

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

General Manufacturing Information1H-Purine-2,6-dione, 8-bromo-3,9-dihydro-1,3-dimethyl-: INACTIVE

응용 분야

용도The active component in the diuretic Diurex.

공급사84 곳

国药集团化学试剂有限公司86-21-63210123 · [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]
陕西格列弗生物科技研究有限责任公司13892423764 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

관련 반응

6건

화합물 노트

불러오는 중…

CAS 10381-75-6 Bromotheophylline (HCID 11808)|Huagongshe