| CAS Number | 1207282-60-7 |
| Catalog Number | AG008W9E(AGN-PC-0WAGLS) |
| Chemical Name | rac-trans 3’-Hydroxymethylnicotine Hemisuccinate N-Hydroxysuccinimide Ester |
| IUPAC Name | 4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-[[(2S,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl] butanedioate |
| InChI | InChI=1S/C19H23N3O6/c1-21-10-8-14(19(21)13-3-2-9-20-11-13)12-27-17(25)6-7-18(26)28-22-15(23)4-5-16(22)24/h2-3,9,11,14,19H,4-8,10,12H2,1H3/t14-,19-/m1/s1 |
| InChI Key | UQWDZTYMDUMBQQ-AUUYWEPGSA-N |
| MDL Number | MFCD28899403 |
| Molecular Formula | C19H23N3O6 |
| Molecular Weight | 389.4024 |
| SMILES | CN1CC[C@@H]([C@H]1C2=CN=CC=C2)COC(=O)CCC(=O)ON3C(=O)CCC3=O |
| Synonyms | 1207282-60-7,
rac-trans 3'-Hydroxymethylnicotine Hemisuccinate N-Hydroxysuccinimide Ester,
CTK8G2877,
DTXSID20660069,
ZINC72399947,
J-004390,
[(2S,3S)-1-Methyl-2-(pyridin-3-yl)pyrrolidin-3-yl]methyl 4-[(2,5-dioxopyrrolidin-1-yl)oxy]-4-oxobutanoate,
rac-trans 3 inverted exclamation mark -Hydroxymethylnicotine Hemisuccinate N-Hydroxysuccinimide Ester,
UQWDZTYMDUMBQQ-AUUYWEPGSA-N,
|
| Complexity | 609 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 389.159g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 389.408g/mol |
| Monoisotopic Mass | 389.159g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number