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Sodium 2-[(Z)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-isopropyl-2-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate | CAS No. 85409-48-9

Sodium 2-[(Z)-(3-{[bis(carboxymethyl)amino]methyl}-4-hydroxy-5-isopropyl-2-methylphenyl)(3-{[bis(carboxymethyl)amino]methyl}-5-isopropyl-2-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate

Basic Information

Chemical_Structure_Of

CAS Number

85409-48-9

Molecular Formula

C38H43N2NaO12

Molecular Weight

742.7 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

209-211°C (dec.)

SMILES

CC1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)C(C)C)C2(C3=CC=CC=C3C(=O)O2)C4=C(C(=C(C(=C4)C(C)C)O)CN(CC(=O)O)CC(=O)[O-])C.[Na+]

InChI

InChI=1S/C38H44N2O12.Na/c1-19(2)25-11-27(21(5)29(36(25)49)13-39(15-31(41)42)16-32(43)44)35(23-9-7-8-10-24(23)38(51)52)28-12-26(20(3)4)37(50)30(22(28)6)14-40(17-33(45)46)18-34(47)48;/h7-12,19-20,49H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,51,52);/q;+1/p-1/b35-28+;

InChIKey

ZWUCKWBLYLEDRL-FYZPMOJKSA-M

LogP

3.03140

Complexity

1300

Synonyms & References

English

85409-48-9
Sodium;2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-6-methyl-3-propan-2-ylphenyl]methyl-(carboxymethyl)amino]acetate
Thymolphthalein complexone disodium salt
Disodium N,N'-[bis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene](3-oxo-1(3H)-isobenzofuranylidene)]bis[N-(carboxymethyl)aminoacetate]
sodium,2-[(Z)-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxy-2-methyl-5-propan-2-ylphenyl]-[3-[[bis(carboxymethyl)amino]methyl]-2-methyl-4-oxo-5-propan-2-ylcyclohexa-2,5-dien-1-ylidene]methyl]benzoate
THYMOLPHTHALEIN COMPLEXONE SODIUM SALT
Disodium N,N'-(bis((6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene)methylene)(3-oxo-1(3H)-isobenzofuranylidene))bis(N-(carboxymethyl)aminoacetate)
EINECS 287-117-2

Related Compounds

1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

1,3-Dibromo-2,4-dichloro-5-fluorobenzene

CAS Number: 1000573-45-4

Molecular Formula: C6HFCl2Br2

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine structure

N-(2-Methoxyphenyl)-N-[(4-methylphenyl)sulfonyl]-beta-alanine

CAS Number: 103687-96-3

Molecular Formula: C17H19NO5S

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine structure

5'-O-[Bis(4-methoxyphenyl)(phenyl)methyl]cytidine

CAS Number: 112897-99-1

Molecular Formula: C30H31N3O7

Darunavir-d9 structure

Darunavir-d9

CAS Number: 1133378-37-6

Molecular Formula: C27H28D9N3O7S

2-Bromo-3-isopropoxypyridine structure

2-Bromo-3-isopropoxypyridine

CAS Number: 113503-65-4

Molecular Formula: C8H10BrNO

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate structure

Methyl 6-fluoro-4-oxo-4H-chromene-2-carboxylate

CAS Number: 116543-91-0

Molecular Formula: C11H7FO4

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile structure

(3S,4R)-3-Hydroxy-2,2-dimethyl-4-[(3-oxo-1-cyclopenten-1-yl)oxy]-6-chromanecarbonitrile

CAS Number: 121055-10-5

Molecular Formula: C17H17NO4

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate structure

Methyl 5-chloropyrazolo[1,5-a]pyrimidine-2-carboxylate

CAS Number: 1263059-26-2

Molecular Formula: C8H6ClN3O2

8-Bromoisoquinolin-1-amine structure

8-Bromoisoquinolin-1-amine

CAS Number: 1337879-85-2

Molecular Formula: C9H7BrN2

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Supplier Information

Suzhou Sinoera Chem Co., Ltd.

CAS Number: 85409-48-9

HuBeiGuoYunFuRui Technology Co Ltd

CAS Number: 85409-48-9

ShenZhenAiTaHuaXue Co Ltd

CAS Number: 85409-48-9

ShenZhenShiRuiJiTe Biotechnology Co Ltd

CAS Number: 85409-48-9

Jin Jinle (Hunan) Chemical Co., Ltd.

CAS Number: 85409-48-9