ROX NHS ester,5-isomer

Catalog Number

ACM344402353-1

CAS

344402-35-3

Synonyms

Spiro[isobenzofuran-1(3H),9'-[1H,5H,9H,11H,15H]xantheno[2,3,4-ij:5,6,7-i'j']diquinolizine]-5-carboxylicacid,2',3',6',7',12',13',16',17'-octahydro-3-oxo-,2,5-dioxo-1-pyrrolidinylester

IUPAC Name

5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate

Molecular Weight

631.7

Molecular Formula

C37H33N3O7

Canonical SMILES

C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)ON9C(=O)CCC9=O)C(=O)[O-])CCC7

InChI

InChI=1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-37(45)22-9-10-23(26(19-22)36(43)44)31-27-17-20-5-1-13-38-15-3-7-24(32(20)38)34(27)46-35-25-8-4-16-39-14-2-6-21(33(25)39)18-28(31)35/h9-10,17-19H,1-8,11-16H2

InChI Key

BTTBJYLMDASSAS-UHFFFAOYSA-N

Purity

80%

Density

1.55 ± 0.1 g/ml

Appearance

Red powder

Storage

-20 °C in the dark

Emission Maximum

591 nm

Excitation Maximum

570 nm

• Catalog Number: ACM344402353-1
• CAS: 344402-35-3
• Synonyms: Spiro[isobenzofuran-1(3H),9'-[1H,5H,9H,11H,15H]xantheno[2,3,4-ij:5,6,7-i'j']diquinolizine]-5-carboxylicacid,2',3',6',7',12',13',16',17'-octahydro-3-oxo-,2,5-dioxo-1-pyrrolidinylester
• IUPAC Name: 5-(2,5-dioxopyrrolidin-1-yl)oxycarbonyl-2-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)benzoate
• Molecular Weight: 631.7
• Molecular Formula: C37H33N3O7
• Canonical SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=C(C=C8)C(=O)ON9C(=O)CCC9=O)C(=O)[O-])CCC7
• InChI: InChI=1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-37(45)22-9-10-23(26(19-22)36(43)44)31-27-17-20-5-1-13-38-15-3-7-24(32(20)38)34(27)46-35-25-8-4-16-39-14-2-6-21(33(25)39)18-28(31)35/h9-10,17-19H,1-8,11-16H2
• InChI Key: BTTBJYLMDASSAS-UHFFFAOYSA-N
• Purity: 80%
• Density: 1.55 ± 0.1 g/ml
• Appearance: Red powder
• Storage: -20 °C in the dark
• Emission Maximum: 591 nm
• Excitation Maximum: 570 nm