(S)-Ethyl nipecotate D-tartrate - CAS 163343-71-3
Catalog: |
BB065539 |
Product Name: |
(S)-Ethyl nipecotate D-tartrate |
CAS: |
163343-71-3 |
Synonyms: |
Ethyl (S)-3-Piperidinecarboxylate D-Tartrate; (S)-Ethyl nipecotate-D-tartrate; (S)-Ethyl piperidine-3-carboxylate (2S,3S)-2,3-dihydroxysuccinate; Ethyl (S)-nipecotate L-tartrate; Ethyl (S)-Nipecotate D-Tartrate; (S)-Nipecotic Acid Ethyl Ester D-Tartrate |
IUPAC Name: | (2S,3S)-2,3-dihydroxybutanedioic acidethyl (3S)-piperidine-3-carboxylate |
Description: | (S)-Ethyl nipecotate D-tartrate |
Molecular Weight: | 307.3 |
Molecular Formula: | C12H21NO8 |
Canonical SMILES: | CCOC(=O)C1CCCNC1.C(C(C(=O)O)O)(C(=O)O)O |
InChI: | InChI=1S/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-75-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H31-2,5-6H,(H,7,8)(H,9,10)/t7-1-,2-/m00/s1 |
InChI Key: | HHPGQKZOPPDLNH-ZZQRGORHSA-N |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 307.12671663 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 5 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 307.12671663 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 153Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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