기본 정보
- CAS
16009-13-5- 표준 SMILES
C=CC1=C(C)c2cc3[n-]c(cc4[n-]c(cc5nc(cc1n2)C(C)=C5C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C.[Cl-].[Fe+3]- InChIKey
BTIJJDXEELBZFS-UHFFFAOYSA-K- 분자식
- C34H32ClFeN4O4
- 평균 분자량
- 651.9 g/mol
개요
Hemin (trade name Panhematin) is an iron-containing porphyrin. More specifically, it is protoporphyrin IX containing a ferric iron ion (heme B) with a chloride ligand.
이름 및 식별자
- 우선 이름
- Npc76529
- IUPAC
- 3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
- 영어명
- Hemin
- 분자식
- C34H31ClFeN4O4-
- 분자량
- 650.94
이름 및 동의어
RefChem:1093269Npc76529heminChlorohemin16009-13-5hemin chloridePanhematinHematin chlorideFerriprotoporphyrin chlorideMFCD00010726Chloro(protoporphyrinato)iron(III)3-[18-(2-carboxyethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethylporphyrin-21,24-diid-2-yl]propanoic acid;iron(3+);chloride
이름 더 보기
(-)-Syringaresnol-4-O-beta-D-apiofuranosHEMIN PORCINEPROTOHEMIN IXFerriheMe chlorideHAEMINHemin>Hemin,99%Hemin, USP
Ferriprotoporphyrin IX chlorideHEMIN [VANDF]HEMIN [JAN]HEMIN [WHO-DD]HEMIN [MI]743LRP9S7NSCHEMBL29369977MSK2396
데이터베이스 식별자
- CAS
16009-13-5- PubChem CID
- 455658
- ChEMBL
CHEMBL1200662- UNII
- 743LRP9S7N
물성
구조 계산 물성
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 녹는점
- 300 °C · 300 °C
- 저장 조건
- 2 · 2-8°C
- 용해도
- 1.4 M · 1.4M NaOH: 가용성25mg/mL
- 물리적 상태
- 수정 같은
- 색상
- 검은색
- 생물학적 소스
- Porcine
- 수용성
- 실질적으로 불용성
- Merck
- 14 · 14,4644
- BRN
- 5229914 · 5229914
- 안정성
- 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운.
- InChIKey
- BTIJJDXEELBZFS-HXFTUNQESA-K
- SMILES
- [Cl-][Fe+3]123[N-]4C5C(C)=C(C=C)C4=CC4C(C)=C(C=C)C(=CC6=C(C)C(CCC(=O)[O-])=C(C=C7C(CCC(=O)[O-])=C(C)C(C=5)=N17)[N-]26)N3=4.[H+]
- EPA
- 2 · Ferrate(2-), chloro[7,12-diethenyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropanoato(4-)-.kappa.N21,.kappa.N22,.kappa.N23,.kappa.N24]-, dihydrogen, (SP-5-13)- (16009-13-5)
화학적 성질
Hemin is a Dark purple crystalline powder or elongated needle-shaped crystal. It does not dissolve in water, but it can dissolve in acidic acetone and alkaline water. The molecular formula is C34H32ClFe(III)N4O4, and the molecular weight is 651.96. Hemin is mainly used as raw material for anti-anemia and anti-cancer drugs.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- LJ8080000
- HS 번호
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 24/25-22-36-26
- F 고인화성물질
- 8
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC Code
B - Blood and blood forming organs
QB - Blood and blood forming organs
응용 분야
개요Hemin is a metalloporphyrin compound with a relatively simple structure. It is formed by the complexation of a molecule of ferrous iron and protoporphyrin. It is an in vitro group substitute of natural heme and its chemical properties are similar to that of heme. Heme, an essential small molecule in living organisms, can be found abundantly in various organisms including animals, plants, microorganisms, and algae.
용도Hemin is used in cellular protection and control mechanism. It stimulates the synthesis of globulin. It is also used to study the bacterial strains and growth conditions, in the short-term colony assays and cell transfections. Further, it is used to treat the symptoms of various porphyrias. In addition, it is used in the preparation of agar medium for the bacteria culture.
일반 설명Heme is a small molecule present either free or bound to hemoglobin in the bloodstream of mammals. This is an alternative source of iron within the host that contains a porphyrin ring containing a Fe2+ ion called hemin.
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