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O-크레졸프탈레인복합사나트륨염

Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4)

HCID 112916
노트반응
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
62698-54-8
표준 SMILES
Cc1cc(C2(c3cc(C)c(O)c(CN(CC(=O)[O-])CC(=O)[O-])c3)OC(=O)c3ccccc32)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O.[Na+].[Na+].[Na+].[Na+]
InChIKey
KSMPPVYJZJBIES-UHFFFAOYSA-J
분자식
C32H28N2Na4O12
평균 분자량
724.5 g/mol
단동위원소 질량
724.12330146

이름 및 식별자

우선 이름
Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4)
IUPAC
tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate
현지명
O-크레졸프탈레인복합사나트륨염
영어명
o-Cresolphthalein complexone tetrasodium salt
분자식
C32H28N2Na4O12
분자량
724.53

이름 및 동의어

62698-54-8DTXSID30889800Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, sodium salt (1:4)Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-, tetrasodium saltGlycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4)Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, tetrasodium saltRefChem:143852DTXCID701031330Sodium 2,2',2'',2'''-((((3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-hydroxy-3-methyl-5,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetatetetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetateSodium 2,2',2'',2'''-((((3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(6-hydroxy-5-methyl-3,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetate

물성

구조 계산 물성

극성 표면적
234 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
14
회전 가능 결합 수
10
무거운 원자 수
50
형식 전하
0
복잡도
1,030

물리화학적 성질

저장 조건
Store at RT.
물리적 상태
가루
색상
보라
InChIKey
KSMPPVYJZJBIES-UHFFFAOYSA-J
SMILES
C1(OC(=O)C2C=CC=CC1=2)(C1=CC(=C(O)C(CN(CC([O-])=O)CC(=O)[O-])=C1)C)C1=CC(=C(O)C(CN(CC(=O)[O-])CC(=O)[O-])=C1)C.[Na+].[Na+].[Na+].[Na+]
EPA
Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, tetrasodium salt (62698-54-8)

화학적 성질

Maroon color crystals

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 데이터

tsca
TSCA listed
HS 번호
29329900
safety_code
24/25

화학 및 산업

용도 및 제조

General Manufacturing InformationGlycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4): INACTIVE

응용 분야

용도The sodium salt of o-Cresolphthalein Complexone (C782150) which is an indicator used to identify calcium in solution, turning the solution a violet color. Used in smooth muscle cell analysis.

공급사22 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
斯百全化学(上海)有限公司

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화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
MFCD04113773
이름 더 보기
O-크레졸프탈레인복합사나트륨염METAL PHTHALEIN SODIUM SALTPHTHALEIN PURPLE SODIUM SALTPHTHALEIN COMPLEXON SODIUM SALTo-CresolphtaleincomplexonesodiumsaltCRESOLPHTHALEIN COMPLEXONE SODIUM SALTO-CRESOLPHTHALEIN COMPLEXON SODIUM SALTO-CRESOLPHTHALEIN COMPLEXONE SODIUM SALTO-CRESOLPHTHALEIN COMPLEXONE, WATER SOLUBLEo-Cresolphthalein complexone tetrasodium salto-Cresolphthalein Complexone sodium salt, pure
SCHEMBL2857727C32H28N2Na4O12KSMPPVYJZJBIES-UHFFFAOYSA-JAKOS025295566CS-0326809D89242Sodium2,2',2'',2'''-((((3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(2-hydroxy-3-methyl-5,1-phenylene))bis(methylene))bis(azanetriyl))tetraacetateTetrasodium 2,2',2'',2'''-{(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylenenitrilo]}tetraacetate

데이터베이스 식별자

CAS
62698-54-8
PubChem CID
112916
DTXSID
DTXSID30889800
Nikkaji
J261.079E
021-021-021-67601398-809-809-809 15221380277 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
长春百纯和成医药科技有限公司043188417879 15804318257 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318584237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]