| CAS Number | 176767-94-5 |
| Catalog Number | AG00ACR7(AGN-PC-0QB0L3) |
| Chemical Name | BTC AM |
| IUPAC Name | acetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[3-(1,3-benzothiazol-2-yl)-7-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]-2-oxochromen-6-yl]oxyethoxy]-4-methylanilino]acetate |
| InChI | InChI=1S/C45H45N3O20S/c1-26-10-11-34(47(18-40(53)64-22-60-27(2)49)19-41(54)65-23-61-28(3)50)37(14-26)58-12-13-59-38-16-31-15-32(44-46-33-8-6-7-9-39(33)69-44)45(57)68-36(31)17-35(38)48(20-42(55)66-24-62-29(4)51)21-43(56)67-25-63-30(5)52/h6-11,14-17H,12-13,18-25H2,1-5H3 |
| InChI Key | JHWYIECNPLLVMW-UHFFFAOYSA-N |
| Molecular Formula | C45H45N3O20S |
| Molecular Weight | 979.9119 |
| SMILES | O=C(C(C1=NC2=C(C=CC=C2)S1)=C3)OC4=C3C=C(OCCOC5=C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)C=CC(C)=C5)C(N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)=C4 |
| Synonyms | BTC, AM,
ZINC575598518,
176767-94-5,
|
| Complexity | 1800 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 979.232g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 69 |
| Hydrogen Bond Acceptor Count | 24 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 979.916g/mol |
| Monoisotopic Mass | 979.232g/mol |
| Rotatable Bond Count | 32 |
| Topological Polar Surface Area | 303A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number