기본 정보
- CAS
76748-86-2- 표준 SMILES
COc1ccc2nc3cc(Cl)ccc3c(Nc3cc(CN4CCCC4)c(O)c(CN4CCCC4)c3)c2n1.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O- InChIKey
YKUQEKXHQFYULM-UHFFFAOYSA-N- 분자식
- C29H44ClN5O18P4
- 평균 분자량
- 910 g/mol
- 단동위원소 질량
- 909.1320353
이름 및 식별자
- 우선 이름
- Pyronaridine tetraphosphate
- IUPAC
- 4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid
- 영어명
- Pyranoridine phosphate
- 분자식
- C29H35ClN5O6P
- 분자량
- 616.05
이름 및 동의어
Pyronaridine Tetraphosphate76748-86-2Pyronaridine phosphateUNII-2T289F9ACONSC-759834Phenol, 4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pyrrolidinylmethyl)-, phosphate (1:4)NSC 759834PYRONARIDINE PHOSPHATE [WHO-DD]PYRONARIDINE TETRAPHOSPHATE [MI]PHENOL, 4-((7-CHLORO-2-METHOXYBENZO(B)-1,5-NAPHTHYRIDIN-10-YL)AMINO)-2,6-BIS(1-PYRROLIDINYLMETHYL)-, PHOSPHATE (1:4) (SALT)RefChem:177866pyronaridine phosphate salt
이름 더 보기
phosphate(1:4)Pyronaridine tetraphpyranoridinephosphateTetraphenylene phosphatePYRANORIDINE TETRAPHOSPHATEPyranaridine tetraphosphate76748-86-2 Pyranoridine phosphatePyranoridine phosphate ISO 9001：2015 REACHPyronaridine tetraphosphate, 10 mM in DMSO4-((7-chloro-2-methoxybenzo(b)-1,5-naphthyridin-10-yl)amino)-2,6-bis(1-pheno
633-305-8Pyranoridine phosphate4-((7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol tetrakis(phosphate)MFCD058635452T289F9ACO4-[(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;phosphoric acid4-[(7-Chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol Tetrakis(phosphate)Benzo[b]-1,5-naphthyridine Phenol Derivative Phosphate; Malaridine Phosphate (1:4); 4-[(7-Chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)amino]-2,6-bis(1-pyrrolidinylmethyl)phenol Phosphate(1:4); 4-((7-Chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)amino)-2,6-bis(pyrrolidin-1-ylmethyl)phenol Phosphate(1:4)
데이터베이스 식별자
- CAS
76748-86-2- PubChem CID
- 156867
- DTXSID
DTXSID00998059- ChEMBL
CHEMBL2095224- UNII
- 2T289F9ACO
- EC Number
- 633-305-8
물성
구조 계산 물성
- 극성 표면적
- 385 Ų
- 수소 결합 공여자 수
- 14
- 수소 결합 수용자 수
- 23
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 57
- 형식 전하
- 0
- 복잡도
- 757
물리화학적 성질
- 녹는점
- 233 · 233-236° (dec)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 5 mg/mL · 아세트산: 용해성5mg/mL
- 물리적 상태
- 고체
- 색상
- Light yellow to yellow
- InChIKey
- YKUQEKXHQFYULM-UHFFFAOYSA-N
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P316, P305+P354+P338, P317, P318, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (97.5%)
안전 데이터
- wgk
- 2
- rtecs
- SK4920000
- 독성
- LD50 in mice (mg/kg): 251 ±33 i.m.; 1368 ±239 orally (Shao)
- risk_code
- 63-22-41
- hazard_code
- Xn
- safety_code
- 26-36/37-39
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationAgents used in the treatment of malaria. They are usually classified on the basis of their action against plasmodia at different stages in their life cycle in the human. (From AMA, Drug Evaluations Annual, 1992, p1585)
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