기본 정보
- CAS
96946-42-8- 표준 SMILES
COc1ccc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@+]2(C)CCC(=O)OCCCCCOC(=O)CC[N@@+]2(C)CCc3cc(OC)c(OC)cc3[C@H]2Cc2ccc(OC)c(OC)c2)cc1OC.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1- InChIKey
XXZSQOVSEBAPGS-DONVQRBFSA-L- 분자식
- C65H82N2O18S2
- 평균 분자량
- 1,243.5 g/mol
- 단동위원소 질량
- 1,242.50040612
이름 및 식별자
- 우선 이름
- Cisatracurium Besylate
- IUPAC
- benzenesulfonate;5-[3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[(1R,2R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
- 영어명
- Cisatracurium besylate
- 분자식
- C53H72N2O12.2C6H5O3S
- 분자량
- 1243.49
이름 및 동의어
Cisatracurium besylate96946-42-8Cisatracurium besilateNimbex51W89NIMBEX PRESERVATIVE FREECisatracurium (as besilate)80YS8O1MBSBesilato de cisatracurioBesilate de cisatracurium51-W8951-W-89
이름 더 보기
Cisatracurium1 kg - 1.5kgCis-AttacuriuMMikhail Zayats(1R,1'R,2R,2'R)-Cisatracurium besyLCisatracurium besylaCisatrcurium Besylate
Cisatracurium Besylate Preservative FreeCHEBI:3721(1R,2R)-2-(2-Carboxyethyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-veratrylisoquinolinium benzenesulfonate, pentamethylene esterDTXSID1089504551W-89(1R,2R,1'R,2'R)-2,2'-(PENTANE-1,5-DIYLBIS(OXY(3-OXOPROPANE-3,1-DIYL)))BIS(1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXY-2-METHYL-1,2,3,4-TETRAHYDROISOQUINOLINIUM) BISBENZENESULFONATE(1R,2R,1'R,2'R)-2,2'-{pentane-1,5-diylbis[oxy(3-oxopropane-3,1-diyl)]}bis[1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolinium] bisbenzenesulfonateCisatracurii besilas
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- 극성 표면적
- 258 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 18
- 회전 가능 결합 수
- 26
- 무거운 원자 수
- 87
- 형식 전하
- 0
- 복잡도
- 1,560
물리화학적 성질
- 녹는점
- 90 · 90-93°C
- 저장 조건
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- 용해도
- 2 O: · H2O: 용해성1mg/mL
- 물리적 상태
- 가루
- 색상
- 하얀색
- 주요 응용
- 의약품(소분자)
- InChIKey
- XXZSQOVSEBAPGS-UHFFFAOYSA-L
화학적 성질
White Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (94.9%): Toxic if swallowed [Danger Acute toxicity, oral]；H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 98 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (94.9%)；Eye Irrit. 2 (42.9%)
독성 정보
Drug Induced Liver Injury
Drug Induced Liver Injury Rank (DILIrank 2.0)
Cisatracurium besylate
vNo-DILI-concern
0
No match
DOI:10.1016/j.drudis.2016.02.015
Effects During Pregnancy and Lactation
◉ Summary of Use during Lactation；No information is available on the use of cisatracurium during breastfeeding. Because it is short acting, highly polar and poorly absorbed orally, it is not likely to reach the breastmilk in high concentration or to reach the bloodstream of the infant. When a combination of anesthetic agents is used for a procedure, follow the recommendations for the most problematic medication used during the procedure. Consider using a cisatracurium product that has no benzyl alcohol preservative.；◉ Effects in Breastfed Infants；Relevant published information was not found as of the revision date.；◉ Effects on Lactation and Breastmilk；Relevant published information was not found as of the revision date.
화학 및 산업
약리 정보
FDA Pharmacological Classification
CISATRACURIUM BESYLATE
Neuromuscular Nondepolarizing Blockade [PE]; Nondepolarizing Neuromuscular Blocker [EPC]
MeSH Pharmacological Classification
Drugs that interrupt transmission of nerve impulses at the skeletal neuromuscular junction. They can be of two types, competitive, stabilizing blockers (NEUROMUSCULAR NONDEPOLARIZING AGENTS) or noncompetitive, depolarizing agents (NEUROMUSCULAR DEPOLARIZING AGENTS). Both prevent acetylcholine from triggering the muscle contraction and they are used as anesthesia adjuvants, as relaxants during electroshock, in convulsive states, etc.
용도 및 제조
UsesUse (kg; approx.) in Germany (2009): >10；Consumption (g per capita; approx.) in Germany (2009): 0.000122；Calculated removal (%): 99.7
응용 분야
개요Cisatracurium besylate is a new intermediate-duration non-depolarizing muscle relaxant launched in the U.S.A. for intubation and maintenance of muscle relaxation during surgery and intensive care. Cisatracurium besylate is the single 1 R cis-1'R cis isomer of the commercial preparation of atracurium, a mixture of 10 isomers. It is 3 to 5 times more potent than the mixture with similar onset and duration of action. The single isomer was also reported to have reduced propensity to release histamine and have a stable cardiovascular profile. Similar to structurally related mivacurium, cisatracurium has distinct advantages of rapid degradation, enzymatic metabolism that is independent of liver or kidney resulting in short duration of action and fast, complete recovery.
용도Cisatracurium Besylate is a nondepolarizing neuromuscular blocking agent, antagonizing the action of acetylcholine by inhibiting neuromuscular transmission.
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