기본 정보
- CAS
17696-69-4- 표준 SMILES
CC1=C(CCC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(C)O)c(C)c4C(C)O)C(C)=C3CCC(=O)O.Cl.Cl- InChIKey
WZQQOXSHARXAID-UHFFFAOYSA-N- 분자식
- C34H40Cl2N4O6
- 평균 분자량
- 671.6 g/mol
- 단동위원소 질량
- 670.2324904
이름 및 식별자
- 우선 이름
- Hematoporphyrin dihydrochloride
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(1-hydroxyethyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid;dihydrochloride
- 현지명
- 헤마토포르피린이염화물
- 영어명
- Hematoporphyrin dihydrochloride
- 분자식
- C34H39ClN4O6
- 분자량
- 635.16
이름 및 동의어
HEMATOPORPHYRIN DIHYDROCHLORIDE17696-69-4Hematoporphyrin IX dihydrochlorideHaematoporphyrin dihydrochlorideApiabasilonVitamorellEmatoporfirinaHematoporphyrin HClEmatoporfirina [Italian]Hematoporphyrin dichydrochlorideEINECS 241-699-4DTXSID00884983
이름 더 보기
헤마토포르피린이염화물HemaloporphyrinHematoporphyrin 2HClHematoporphyrineDihclHAEMATOPORPHYRINDICHLORIDEHaematopophyrin dihydrochlorideHAEMATOPORPHYRIN Dihydrochloride(RG)
O535A6S0T221H,23H-Porphine-2,18-propanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, 2HCl7,12-Bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-2,18-porphinedipropionic acid 2HClAcido 1,3,5,8-tetrametil-2,4-bis(idrossietil)porpfina-6,7-dipropionico dicloridrato21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2)2,18-Porphinedipropionic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochlorideHEMATOPORPHYRIN HYDROCHLORIDE [WHO-DD]
데이터베이스 식별자
- CAS
17696-69-4- PubChem CID
- 159830
- ChEMBL
CHEMBL1319648- EC Number
- 241-699-4
물성
구조 계산 물성
- 극성 표면적
- 172 Ų
- 수소 결합 공여자 수
- 8
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- 저장 조건
- Inert atmosphere,Room Temperature
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 매우 진한 빨간색
- 수용성
- 물에 불용성. 피리딘(5%)에 용해됩니다.
- Merck
- 14 · 14,4636
- BRN
- 78957 · 78957
- 안정성
- 흡습성
- EPA
- 21 H,23H-Porphine-2,18-dipropanoic · 21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, dihydrochloride (17696-69-4)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- rtecs
- TS5505000
- 독성
- mouse,LD50,intraperitoneal,169mg/kg (169mg/kg),BEHAVIORAL: TREMORBEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY),Bollettino Chimico Farmaceutico. Vol. 117, Pg. 145, 1978.
- risk_code
- 33
화학 및 산업
용도 및 제조
General Manufacturing Information21H,23H-Porphine-2,18-dipropanoic acid, 7,12-bis(1-hydroxyethyl)-3,8,13,17-tetramethyl-, hydrochloride (1:2): INACTIVE
응용 분야
개요Hematoporphyrin is a photosensitizer. Hematoporphyrin (3 μM) increases oxygen consumption and decreases the respiratory control ratio (RCR) in irradiated isolated rat liver mitochondria. It induces DNA breaks in cell-free assays, but not in human HeLa cervical cancer cells, in a light-dependent manner when used at a concentration of 6 μM. Hematoporphyrin (12 μM) decreases the survival of irradiated, but not non-irradiated, HeLa cells. Hematoporphyrin (5 mg/kg) decreases growth of subcutaneous Yoshida AH-130 hepatoma tumors in rats when administered with radiation.
용도Endogenous porphyrin formed by the acid hydrolysis of hemoglobin. It is employed as an active pharmaceutical intermediate.
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