| CAS Number | 1355239-03-0 |
| Catalog Number | AG003CKC(AGN-PC-0WA2UH) |
| Chemical Name | (S)-2-(3-Fluorophenyl)pyrrolidine d-tartrate |
| IUPAC Name | (2S,3S)-2,3-dihydroxybutanedioic acid;(2S)-2-(3-fluorophenyl)pyrrolidine |
| InChI | InChI=1S/C10H12FN.C4H6O6/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;5-1(3(7)8)2(6)4(9)10/h1,3-4,7,10,12H,2,5-6H2;1-2,5-6H,(H,7,8)(H,9,10)/t10-;1-,2-/m00/s1 |
| InChI Key | LPQAIJHTOIUGNX-MSDAVRDESA-N |
| MDL Number | MFCD17171375 |
| Molecular Formula | C14H18FNO6 |
| Molecular Weight | 315.2942 |
| SMILES | O[C@@H]([C@H](O)C(O)=O)C(O)=O.FC1=CC(=CC=C1)[C@@H]1CCCN1 |
| Synonyms | (S)-2-(3-Fluorophenyl)pyrrolidine D-Tartrate,
1355239-03-0,
C10H12FN.C4H6O6,
CTK8E1546,
DTXSID50849446,
4837AJ,
MFCD17171375,
AKOS024438493,
KS-00000E00,
AS-32048,
AB0064955,
TC-306462,
(S)-2-(3-Fluorophenyl)pyrrolidineD-Tartrate,
Z-4082,
(2S,3S)-2,3-Dihydroxybutanedioic acid--(2S)-2-(3-fluorophenyl)pyrrolidine (1/1),
920274-04-0 (free base),
1272755-93-7,
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| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.112g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.297g/mol |
| Monoisotopic Mass | 315.112g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number