디클로로페나마이드

디클로로페나마이드 · 디클로로페나미드 · Dichlorophenamide · cb8000 · CB 8000 · Glaucor · Oralcon · glaucol

식별자 및 물리적 특성

CAS No.	120-97-8
분자식	C6H6Cl2N2O4S2
평균 분자량	305.2 g/mol
단동위원소 질량	303.91460403 g/mol
SMILES	NS(=O)(=O)c1cc(Cl)c(Cl)c(S(N)(=O)=O)c1
InChIKey	GJQPMPFPNINLKP-UHFFFAOYSA-N
PubChem CID	3038
ChEMBL	CHEMBL17
ChEBI	CHEBI:101085
EC No.	204-440-6
DTXSID	DTXSID1022922
현지명	디클로로페나마이드

화학 및 물리적 성질

XLogP	0.3
극성 표면적	137
수소 결합 공여자 수	2
수소 결합 수용자 수	6
회전 가능 결합 수	2
무거운 원자 수	16
형식 전하	0
복잡도	452
의약품	Pharmaceuticals -> Listed in ZINC15
LogP(분배 계수)	0.20.92
냄새	SLIGHT CHARACTERISTIC ODOR
Color/Form	NEEDLES FROM DIMETHYLSULFOXIDE + WATERWHITE OR NEARLY WHITE, CRYSTALLINE POWDER
용해도	PRACTICALLY INSOL IN WATERSOL IN ALKALINE SOLNFREELY SOL IN PYRIDINE & IN 1 N NAOHSOL IN ALCOHOLSOL IN 2 N SODIUM CARBONATESLIGHTLY SOL IN ETHER3.98e-01 g/L아세토니트릴(약간 용해됨), 클로로포름, DMSO(약간 용해됨), 메탄올에 용해됨
Human Drugs	FDA approved drugs -> Active ingredientPharmaceuticals
녹는점	239-241 °C228.7 °C239-241° (patent, mp 228.5-229°)
Physical Description	Solid
Dissociation Constants	PKA: 7.4, KA: 8.6
끓는 점	590.5±60.0 °C(Predicted)
밀도	1.7263 (rough estimate)
굴절률	1.6000 (estimate)
저장 조건	Sealed in dry,Room Temperature
물리적 상태	고체
pKa(산도 계수)	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	4,5-Dichloro-m-benzenedisulfonamide(120-97-8)
EPA	1,3-Benzenedisulfonamide, 4,5-dichloro- (120-97-8)

화학적 성질

Off-White Solid

안전 및 규제

Non-Human Toxicity Excerpts
GHS 분류	WarningH315 (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.
규제 정보	Hazard Traits - Developmental Toxicity1,3-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.
기타 안전 정보	IMAP assessments - 1,3-Benzenedisulfonamide, 4,5-dichloro-: Environment tier I assessment
Hazard Classes and Categories	Skin Irrit. 2 (50%)
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)DichlorphenamidevNo-DILI-concernNo matchDOI:10.1016/j.drudis.2016.02.015

용도

Like 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.