기본 정보
- 표준 SMILES
NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1- InChIKey
GJQPMPFPNINLKP-UHFFFAOYSA-N- 분자식
- C6H6Cl2N2O4S2
- 평균 분자량
- 305.2 g/mol
- 단동위원소 질량
- 303.91460403
개요
Dichlorphenamide can cause developmental toxicity according to state or federal government labeling requirements.
이름 및 식별자
- 우선 이름
- Dichlorphenamide
- IUPAC
- 4,5-dichlorobenzene-1,3-disulfonamide
- 현지명
- 디클로로페나마이드
- 영어명
- Dichlorphenamide
- 분자식
- C6H6Cl2N2O4S2
- 분자량
- 305.16
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
120-97-8- PubChem CID
- 3038
- DTXSID
DTXSID1022922- ChEMBL
CHEMBL17- ChEBI
CHEBI:101085- UNII
- VVJ6673MHY
- EC Number
- 204-440-6
- Nikkaji
- J8.589H
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 137 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 452
실험 및 물리화학적 성질
LogP
0.2
0.92
Color/Form
NEEDLES FROM DIMETHYLSULFOXIDE + WATER
WHITE OR NEARLY WHITE, CRYSTALLINE POWDER
Solubility
PRACTICALLY INSOL IN WATER; SOL IN ALKALINE SOLN
FREELY SOL IN PYRIDINE & IN 1 N NAOH; SOL IN ALCOHOL; SOL IN 2 N SODIUM CARBONATE; SLIGHTLY SOL IN ETHER
3.98e-01 g/L
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Pharmaceuticals
Melting Point
239-241 °C
228.7 °C
물리화학적 성질
- 녹는점
- 239 · 239-241° (patent, mp 228.5-229°)
- 끓는 점
- 590.5 · 590.5±60.0 °C(Predicted)
- 밀도
- 1.7263 · 1.7263 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 아세토니트릴(약간 용해됨), 클로로포름, DMSO(약간 용해됨), 메탄올에 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 7.4 · pKa 7.4 (Uncertain);8.6 (Uncertain)
- 색상
- 흰색에서 황백색까지
- 주요 응용
- 의약품(소분자)
- InChI
- InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
- InChIKey
- GJQPMPFPNINLKP-UHFFFAOYSA-N
- SMILES
- C1(S(N)(=O)=O)=CC(Cl)=C(Cl)C(S(N)(=O)=O)=C1
- NIST
- 4 · 4,5-Dichloro-m-benzenedisulfonamide(120-97-8)
- EPA
- 1 · 1,3-Benzenedisulfonamide, 4,5-dichloro- (120-97-8)
화학적 성질
Off-White Solid
안전 및 규제
GHS 분류
GHS Classification
Warning
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
P203, P264, P264+P265, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Hazard Traits - Developmental Toxicity
1,3-Benzenedisulfonamide, 4,5-dichloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
독성 정보
Human Toxicity Excerpts
CALCULUS FORMATION & URETERAL COLIC HAVE BEEN ATTRIBUTED TO MARKED REDN IN URINARY CITRATE...ASSOC WITH EITHER NO CHANGE OR EVEN RISE IN URINARY CALCIUM. ...DEPRESSES UPTAKE OF IODINE BY THYROID GLAND. /ACETAZOLAMIDE/
WITH LARGE DOSES, MANY PT EXHIBIT DROWSINESS & PARESTHESIAS. IN HEPATIC CIRRHOSIS, EPISODES OF DISORIENTATION MAY BE INDUCED. ... HYPERSENSITIVITY REACTIONS ARE RELATIVELY RARE. THEY CONSIST IN FEVER, SKIN REACTIONS, BONE-MARROW DEPRESSION, & SULFONAMIDE-LIKE RENAL LESIONS. /CARBONIC ANHYDRASE INHIBITORS/
LESS FREQUENT UNTOWARD REACTIONS INCL FATIGUE, EXCITEMENT, & GI REACTIONS. /CARBONIC ANHYDRASE INHIBITORS/
GI DISTURBANCES...ANOREXIA, NAUSEA, VOMITING, DIARRHEA, WT LOSS, ALTERED TASTE & SMELL, CONSTIPATION, DRYNESS OF MOUTH, EXCESSIVE THIRST...ABDOMINAL DISTENTION...PARESTHESIA...NUMBNESS & TINGLING SENSATION...IN EXTREMITIES, TONGUE, &/OR MUCOCUTANEOUS JUNCTIONS OF LIPS OR ANUS /ADVERSE EFFECT, ORAL/
For more Human Toxicity Excerpts (Complete) data for DICHLORPHENAMIDE (6 total), please visit the HSDB record page.
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Dichlorphenamide
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
안전 데이터
- wgk
- WGK 3
- rtecs
- CZ9200000
- HS 번호
- 2935904000
- risk_code
- 63
- hazard_code
- Xn
- safety_code
- 36
- 기존화학 물질
- KE-10069
- 스토리지 클래스
- 11 - Combustible Solids
- 유해 물질 데이터
- 120-97-8(Hazardous Substances Data)
화학 및 산업
약리 정보
ATC Code
S - Sensory organs
QS - Sensory organs
Pharmacodynamics
Dichlorphenamide is an oral carbonic anhydrase inhibitor indicated for adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure. Carbonic anhydrase inhibitors reduce intraocular pressure by partially suppressing the secretion of aqueous humor (inflow).
Mechanism of Action
Carbonic anhydrase inhibitors reduce intraocular pressure by partially suppressing the secretion of aqueous humor (inflow), although the mechanism by which they do this is not fully understood. Evidence suggests that HCO<sup>3-</sup> ions are produced in the ciliary body by hydration of carbon dioxide under the influence of carbonic anhydrase and diffuse into the posterior chamber which contains more Na<sup>+</sup> and HCO<sup>3-</sup> ions than does plasma and consequently is hypertonic. Water is then attracted to the posterior chamber by osmosis, resulting in a drop in pressure.
PHOSPHATURIA MAY BE RELATED TO DIRECT STIMULATION...OF CYCLIC ADENOSINE 3',5'-MONOPHOSPHATE...PRODN BY KIDNEY. ...DRUG ACTS SIMILARLY TO PARATHYROID HORMONE IN ENHANCING URINARY EXCRETION OF PHOSPHATE & CYCLIC AMP, IN CONTRAST TO ITS ANTAGONISM OF ACTION OF HORMONE ON BONE. /ACETAZOLAMIDE/
...INHIBITION OF...CARBONIC ANHYDRASE. ...IS NONCOMPETITIVE. ...ENZYME IS NORMALLY PRESENT IN TISSUES IN HUGE EXCESS. MORE THAN 99% OF ENZYME ACTIVITY IN KIDNEY MUST BE INHIBITED BEFORE PHYSIOLOGICAL EFFECTS BECOME APPARENT. ENZYME...IS DOMINANT TISSUE COMPONENT TO WHICH INHIBITORS BECOME BOUND. /ACETAZOLAMIDE/
/CHANGES IN URINE/...MAY BE ATTRIBUTED TO INHIBITION OF (+)H SECRETION BY RENAL TUBULE. ... CURRENT EVIDENCE INDICATES GREATER EFFECT ON PROXIMAL THAN ON DISTAL TUBULE, WITH LITTLE OR NO EFFECT ON ASCENDING LIMB. ...PHOSPHATURIA...USED AS INDEX OF LOCALIZING DIURETIC ACTION... /ACETAZOLAMIDE/
...INCR URINARY EXCRETION OF BICARBONATE & FIXED CATION, MOSTLY SODIUM. AS RESULT, CONCN OF BICARBONATE IN EXTRACELLULAR FLUID DECR & METABOLIC ACIDOSIS RESULTS. ...RENAL RESPONSE TO ACETAZOLAMIDE IS GREATLY REDUCED.../BUT/ DIURETIC RESPONSE IS ENHANCED. /ACETAZOLAMIDE/
DRUG LOWERS INTRAOCULAR PRESSURE BY REDUCING RATE OF SECRETION OF AQ HUMOR.
FDA Pharmacological Classification
VVJ6673MHY
DICHLORPHENAMIDE
Established Pharmacologic Class [EPC] - Carbonic Anhydrase Inhibitor
Mechanisms of Action [MoA] - Carbonic Anhydrase Inhibitors
Chemical Structure [CS] - Sulfonamides
Dichlorphenamide is a Carbonic Anhydrase Inhibitor. The mechanism of action of dichlorphenamide is as a Carbonic Anhydrase Inhibitor.
용도 및 제조
응용 분야
용도Like the drugs described above, dichlorphenamide is used for secreting excess water in cases of elevated intraocular pressure, and it is used for treating wide-angle and secondary glaucoma as well as in cases where it is necessary to lower intraocular pressure before surgical intervention in severe wide-angle glaucoma.
상·하류 제품 정보
상류 원료
공급사50 곳
추가 설명
정의ChEBI: A sulfonamide that is benzene-1,3-disulfonamide in which the hydrogens at positions 4 and 5 are substituted by chlorine. An oral carbonic anhydrase inhibitor, it partially suppresses the secretion (inflow) of aqueous humor in the eye and so reduces intraoc lar pressure. It is used for the treatment of glaucoma.
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