9-(2-Carboxy-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium inner salt, 96%

cas: 216699-36-4 — see every product listed under this CAS number, including other names

9-(2-Carboxy-5-(((2,5-dioxopyrrolidin-1-yl)oxy)carbonyl)phenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium inner salt, 96% (CAS 216699-36-4) is a chemical reagent available from Chemat. Available pack sizes: 5mg, 10mg, 25mg, 50mg, 100mg. Offered by: BLDpharm.

• 2D
• 3D

4-(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 (CAS 216699-36-4) is a chemical compound with the molecular formula C37H33N3O7 and a molecular weight of 631.7 g/mol. IUPAC name: 4-(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. InChIKey: KWADUASJUMATIK-UHFFFAOYSA-N.

Identity

Molecular formula	C37H33N3O7
Molecular weight	631.7 g/mol
IUPAC name	4-(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
InChIKey	KWADUASJUMATIK-UHFFFAOYSA-N
SMILES	C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)ON9C(=O)CCC9=O)C(=O)[O-])CCC7

Computed by PubChem (NCBI)

Synonyms: 6-Carboxy-X-rhodamine N-succinimidyl ester, 6-Carboxy-X-rhodamine, succinimidyl ester, 6-ROX N-succinimidyl ester, 6-Carboxy-X-rhodamineN-succinimidylester, ROX NHS ester, 6- isomer, 6-Carboxy-X-rhodamine sucinimidyl ester, orb1685110, KWADUASJUMATIK-UHFFFAOYSA-N, 6-Carboxy-X-rhodamine, succinimidyl ester, single isomer, 6-ROX, SE [6-Carboxy-X-rhodaMine, suciniMidyl ester]

Isomers (same molecular formula)

(2,5-dioxopyrrolidin-1-yl) 3-oxospiro[2-benzofuran-1,16'-3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene]-5-carboxylate C₃₇H₃₃N₃O₇

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 C₃₇H₃₃N₃O₇

(2,5-dioxopyrrolidin-1-yl) 1-oxospiro[2-benzofuran-3,16'-3-oxa-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene]-5-carboxylate C₃₇H₃₃N₃O₇