| CAS Number | 607373-46-6 |
| Catalog Number | AG00ELVO(AGN-PC-0SXFWK) |
| Chemical Name | SB-772077B (hydrochloride) |
| IUPAC Name | [2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]-[(3S)-3-aminopyrrolidin-1-yl]methanone;dihydrochloride |
| InChI | InChI=1S/C15H18N8O2.2ClH/c1-2-23-12-9(15(24)22-4-3-8(16)7-22)5-18-6-10(12)19-14(23)11-13(17)21-25-20-11;;/h5-6,8H,2-4,7,16H2,1H3,(H2,17,21);2*1H/t8-;;/m0../s1 |
| InChI Key | HSROPTGRSYJPJY-JZGIKJSDSA-N |
| MDL Number | MFCD19690938 |
| Molecular Formula | C15H20Cl2N8O2 |
| Molecular Weight | 415.2777 |
| SMILES | O=C(N1CC[C@H](N)C1)C2=C3C(N=C(C4=NON=C4N)N3CC)=CN=C2.Cl.Cl |
| Synonyms | SB 772077B dihydrochloride,
607373-46-6,
SB-772077B dihydrochloride,
SCHEMBL4714842,
AKOS024457982,
API0010280,
HY-108518,
(3S)-1-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-7-yl]carbonyl]-3-pyrrolidinamine dihydrochloride,
HSROPTGRSYJPJY-JZGIKJSDSA-N,
|
| Complexity | 508 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 414.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 415.279g/mol |
| Monoisotopic Mass | 414.109g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 142A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number