| CAS Number | 117491-83-5 |
| Catalog Number | AG009LMF(AGN-PC-0PAK8D) |
| Chemical Name | 6-CARBOXY-X-RHODAMINE SUCCINIMIDYL ESTE |
| IUPAC Name | (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 |
| InChI | InChI=1S/C37H33N3O7/c41-29-11-12-30(42)40(29)47-35(43)22-9-10-23-26(19-22)37(46-36(23)44)27-17-20-5-1-13-38-15-3-7-24(31(20)38)33(27)45-34-25-8-4-16-39-14-2-6-21(32(25)39)18-28(34)37/h9-10,17-19H,1-8,11-16H2 |
| InChI Key | PLTIOQHKDXDXSK-UHFFFAOYSA-N |
| MDL Number | MFCD11858234 |
| Molecular Formula | C37H33N3O7 |
| Molecular Weight | 631.6738 |
| SMILES | O=C(c1ccc2c(c1)C1(OC2=O)c2cc3CCCN4c3c(c2Oc2c1cc1CCCN3c1c2CCC3)CCC4)ON1C(=O)CCC1=O |
| Synonyms | 1-[[(2',3',6',7',12',13',16',17'-Octahydro-3-oxospiro[isobenzofuran-1(3H),9'-[1H,5H,9H,11H,15H]xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin]-6-yl)carbonyl]oxy]-2,5-pyrrolidinedione,
117491-83-5,
ZINC100035711,
|
| Complexity | 1290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 631.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 631.685g/mol |
| Monoisotopic Mass | 631.232g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number