Products 126876-64-0
CAS 126876-64-0 is the registry number for Naltrindole 5′-isothiocyanate. Offered by: MedChemExpress. Available pack sizes: Get quote.
(1S,2R,13S,21R)-22-(cyclopropylmethyl)-7-isothiocyanato-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol (CAS 126876-64-0) is a chemical compound with the molecular formula C27H25N3O3S and a molecular weight of 471.6 g/mol. IUPAC name: (1S,2R,13S,21R)-22-(cyclopropylmethyl)-7-isothiocyanato-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol. InChIKey: PHACSLSFPGYKLR-YICISRLPSA-N.
| Molecular formula | C27H25N3O3S |
|---|---|
| Molecular weight | 471.6 g/mol |
| IUPAC name | (1S,2R,13S,21R)-22-(cyclopropylmethyl)-7-isothiocyanato-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5(10),6,8,15,17,19(25)-heptaene-2,16-diol |
| InChIKey | PHACSLSFPGYKLR-YICISRLPSA-N |
| SMILES | C1CC1CN2CC[C@]34[C@H]5C6=C(C[C@@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C=CC(=C8)N=C=S |
Computed by PubChem (NCBI)
Synonyms:
Naltrindole 5'-isothiocyanate