| CAS Number | 858128-57-1 |
| Catalog Number | AG01E9LH(AGN-PC-0V2AZ7) |
| Chemical Name | Succinimidyl-[4-(psoralen-8-yloxy)]butyrate |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutanoate |
| InChI | InChI=1S/C19H15NO8/c21-13-4-5-14(22)20(13)28-16(24)2-1-8-25-19-17-12(7-9-26-17)10-11-3-6-15(23)27-18(11)19/h3,6-7,9-10H,1-2,4-5,8H2 |
| InChI Key | ZOMXGWWLJXRQKZ-UHFFFAOYSA-N |
| MDL Number | MFCD29041827 |
| Molecular Formula | C19H15NO8 |
| Molecular Weight | 385.3243 |
| SMILES | O=C1OC2=C(C3=C(C=C2C=C1)C=CO3)OCCCC(=O)ON3C(CCC3=O)=O |
| Synonyms | SPB psoralen cpd,
succinimidyl-(4-(psoralen-8-yloxy))butyrate,
858128-57-1,
SCHEMBL1520327,
ZINC59400188,
CS-7651,
HY-104025,
Succinimidyl-[4-(psoralen-8-yloxy)]butyrate,
SPB (succinimidyl-[4-(psoralen-8-yloxy)]butyrate),
ZOMXGWWLJXRQKZ-UHFFFAOYSA-N,
spb,
|
| Complexity | 688 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 385.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 385.328g/mol |
| Monoisotopic Mass | 385.08g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number