9-[5-[[(3-Azidopropyl)amino]carbonyl]-2-carboxyphenyl]-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, ≥95%

cas: 1422178-12-8 — see every product listed under this CAS number, including other names

9-[5-[[(3-Azidopropyl)amino]carbonyl]-2-carboxyphenyl]-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, ≥95% (CAS 1422178-12-8) is a chemical reagent available from Chemat. Available pack sizes: 1mg. Offered by: Chemat.

• 2D
• 3D

4-(3-azidopropylcarbamoyl)-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 1422178-12-8) is a chemical compound with the molecular formula C36H36N6O4 and a molecular weight of 616.7 g/mol. IUPAC name: 4-(3-azidopropylcarbamoyl)-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: PKOJSLKIGDFBBN-UHFFFAOYSA-N.

Identity

Molecular formula	C36H36N6O4
Molecular weight	616.7 g/mol
IUPAC name	4-(3-azidopropylcarbamoyl)-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	PKOJSLKIGDFBBN-UHFFFAOYSA-N
SMILES	C1CC2=CC3=C(C4=C2N(C1)CCC4)OC5=C6CCC[N+]7=C6C(=CC5=C3C8=C(C=CC(=C8)C(=O)NCCCN=[N+]=[N-])C(=O)[O-])CCC7

Computed by PubChem (NCBI)

Synonyms: ROX azide, 6-isomer, 6-ROX azide, orb3028692

Isomers (same molecular formula)

5-(3-azidopropylcarbamoyl)-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 C₃₆H₃₆N₆O₄