Products 1422178-12-8

CAS 1422178-12-8 appears in our catalog under these names: ROX azide, 6-isomer, 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%, ≥95%. Offered by: MedChemExpress, Chemat. Available pack sizes: Get quote, 1mg.

Structural formula: {0} (CAS {1})

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 formulaC36H36N6O4
Molecular weight616.7 g/mol
IUPAC name4-(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
InChIKeyPKOJSLKIGDFBBN-UHFFFAOYSA-N
SMILESC1CC2=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

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