기본 정보
- CAS
137590-32-0- 표준 SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccccc12.CCC(=O)O[C@H](OP(=O)(CCCCc1ccccc1)CC(=O)O)C(C)C- InChIKey
AMCLPZVIVCCLMU-ZBTQCTNHSA-N- 분자식
- C38H51N2O7P
- 평균 분자량
- 678.8 g/mol
- 단동위원소 질량
- 678.34338897
이름 및 식별자
- 우선 이름
- (r-(r*,s*))-((2-methyl-1-(1-oxopropoxy)propoxy)-(4-phenylbutyl)phosphinyl) acetic acid, (-)-cinchonidine (1:1) salt
- IUPAC
- (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-[[(1R)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acid
- 영어명
- (8a,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acetate]
- 분자식
- C19H29O6P.C19H22N2O
- 분자량
- 678.8
이름 및 동의어
EC 415-820-8(R-(R*,S*))-((2-methyl-1-(1-oxopropoxy)propoxy)-(4-phenylbutyl)phosphinyl) acetic acid, (-)-cinchonidine (1:1) salt[R-(R*,S*)]-[[2-methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphinyl] acetic acid, (-)-cinchonidine (1:1) saltRefChem:407516415-820-8(R)-Quinolin-4-yl((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol 2-(((R)-2-methyl-1-(propionyloxy)propoxy)(4-phenylbutyl)phosphoryl)acetic acid(1:1)(R)-[(2S,4S,5R)-5-Ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;2-[[(1R)-2-methyl-1-propanoyloxypropoxy]-(4-phenylbutyl)phosphoryl]acetic acidAMCLPZVIVCCLMU-ZBTQCTNHSA-NDTXSID401334999AKOS015999139(8a,9R)-Cinchonan-9-ol mono[[(S)-[(1R)-2-methyl-1-(1-oxopropoxy)propoxy](4-phenylbutyl)phosphinyl]acCS-0197912
이름 더 보기
(4-phenylbutyl)acetic acid(1:1)methanol 2-(((R)Fosinopril Intermediate 1-2-methyl-1-(propionyloxy)-Quinolin-4-yl((1S,2S,4S,5R)
물성
구조 계산 물성
- 극성 표면적
- 126 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 48
- 형식 전하
- 0
- 복잡도
- 897
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Danger
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationREACH registered substance: [R-(R*,S*)]-[[2-methyl-1-(1-oxopropoxy)propoxy]-(4-phenylbutyl)phosphinyl] acetic acid, (-)-cinchonidine (1:1) salt (EC: 415-820-8)
Hazard Classes and Categories
Skin Sens. 1 (100%)
Eye Dam. 1
안전 데이터
- risk_code
- 41-43-52/53
- hazard_code
- Xi
- safety_code
- 24-26-37/39-61
화학 및 산업
공급사29 곳
山东玖玥生物科技有限公司15553333686 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
浙江华海药业股份有限公司0576-85016990 15014006640 · [email protected]
上海赢瑞生物医药科技有限公司21-33585366 13311639313 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
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