| CAS Number | 380367-48-6 |
| Catalog Number | AG019EIA(AGN-PC-0RF8YX) |
| Chemical Name | BDP 630/650 NHS ester |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 6-[[2-[4-[(E)-2-(2,2-difluoro-12-thiophen-2-yl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)ethenyl]phenoxy]acetyl]amino]hexanoate |
| InChI | InChI=1S/C33H31BF2N4O6S/c35-34(36)38-24(11-12-25(38)21-26-13-16-28(39(26)34)29-5-4-20-47-29)10-7-23-8-14-27(15-9-23)45-22-30(41)37-19-3-1-2-6-33(44)46-40-31(42)17-18-32(40)43/h4-5,7-16,20-21H,1-3,6,17-19,22H2,(H,37,41)/b10-7+ |
| InChI Key | TZBGLTNFAMQEEZ-JXMROGBWSA-N |
| MDL Number | MFCD30182301 |
| Molecular Formula | C33H31BF2N4O6S |
| Molecular Weight | 660.4952 |
| SMILES | O=C(ON1C(=O)CCC1=O)CCCCCNC(=O)COC2=CC=C(C=C2)C=CC3=CC=C4C=C5C=CC(C=6SC=CC6)=[N]5[B+3]([F-])([F-])[N-]34 |
| Synonyms | 380367-48-6,
BDP 630/650 NHS ester,
BDY 630-X, SE,
CHEBI:51885,
BODIPY 630/650-X,
AKOS025142118,
ZINC197570752,
BP-23896,
(N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}-2-{4-[2-(2-{[5-(thiophen-2-yl)-1H-pyrrol-2-yl-kappaN]methylene}-2H-pyrrol-5-yl-kappaN)ethenyl]phenoxy}acetamidato)(difluoro)boron,
(T-4)-[2,5-Dioxo-1-pyrrolidinyl 6-[[2-[4-[2-[5-[[5-(2-thienyl)-2H-pyrrol-2-ylidene-?N]methyl]-1H-pyrrol-2-yl-?N]ethenyl]phenoxy]acetyl]amino]hexanoato]difluoroboron,
3-[2-[4-[6-(2,5-Dioxopyrrolizinooxy)-6-oxohexylcarbamoylmethoxy]phenyl]ethenyl]-5-(2-thienyl)-4,4-difluoro-3a-azonia-4a-aza-4-bora(V)-s-indacene-4-ide,
6-(((4,4-difluoro-5-(2-thienyl)-4-bora-3a,4a-diaza-s- indacene-3-yl)styryloxy)acetyl)aminohexanoic acid,
TZBGLTNFAMQEEZ-JXMROGBWSA-N,
BODIPY 630/650-X NHS Ester (Succinimidyl Ester),
|
| Complexity | 1350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 660.203g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 660.5g/mol |
| Monoisotopic Mass | 660.203g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 138A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number