BTC,tetrapotassiumsalt

Catalog Number

ACM216453542-1

CAS

216453-54-2

Structure

IUPAC Name

Tetrapotassium;2-[2-[2-[3-(1,3-benzothiazol-2-yl)-7-[bis(carboxylatomethyl)amino]-2-oxochromen-6-yl]oxyethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate

Molecular Weight

848.05

Molecular Formula

C33H29K4N3O12S4

Canonical SMILES

CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=C3C(=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+]

InChI

InChI=1S/C33H29N3O12S.4K/c1-18-6-7-22(35(14-28(37)38)15-29(39)40)25(10-18)46-8-9-47-26-12-19-11-20(32-34-21-4-2-3-5-27(21)49-32)33(45)48-24(19)13-23(26)36(16-30(41)42)17-31(43)44;;;;/h2-7,10-13H,8-9,14-17H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-4

InChI Key

NVHVYTMJZUGPBU-UHFFFAOYSA-J

Purity

95%+

Appearance

Solid or powder

Packaging

10 mg

• Catalog Number: ACM216453542-1
• CAS: 216453-54-2
• IUPAC Name: Tetrapotassium;2-[2-[2-[3-(1,3-benzothiazol-2-yl)-7-[bis(carboxylatomethyl)amino]-2-oxochromen-6-yl]oxyethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate
• Molecular Weight: 848.05
• Molecular Formula: C33H29K4N3O12S4
• Canonical SMILES: CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=C3C(=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+]
• InChI: InChI=1S/C33H29N3O12S.4K/c1-18-6-7-22(35(14-28(37)38)15-29(39)40)25(10-18)46-8-9-47-26-12-19-11-20(32-34-21-4-2-3-5-27(21)49-32)33(45)48-24(19)13-23(26)36(16-30(41)42)17-31(43)44;;;;/h2-7,10-13H,8-9,14-17H2,1H3,(H,37,38)(H,39,40)(H,41,42)(H,43,44);;;;/q;4*+1/p-4
• InChI Key: NVHVYTMJZUGPBU-UHFFFAOYSA-J
• Purity: 95%+
• Appearance: Solid or powder
• Packaging: 10 mg