4-Amino-2-ethoxy-5-nitro-N-4-piperidinyl-benzamide Hydrobromide - CAS 952310-00-8
Catalog: |
BB074804 |
Product Name: |
4-Amino-2-ethoxy-5-nitro-N-4-piperidinyl-benzamide Hydrobromide |
CAS: |
952310-00-8 |
Synonyms: |
4-Amino-2-ethoxy-5-nitro-N-(piperidin-4-yl)benzamide Hydrobromide |
IUPAC Name: | 4-amino-2-ethoxy-5-nitro-N-piperidin-4-ylbenzamidehydrobromide |
Description: | Intermediate in the preparation Cinitapride (C441990). |
Molecular Weight: | 389.24 |
Molecular Formula: | C14H21BrN4O4 |
Canonical SMILES: | CCOC1=CC(=C(C=C1C(=O)NC2CCNCC2)[N+](=O)[O-])N.Br |
InChI: | InChI=1S/C14H20N4O4.BrH/c1-2-22-13-8-11(15)12(18(20)21)7-10(13)14(19)17-9-3-5-16-6-4-9/h7-9,16H,2-6,15H2,1H3,(H,17,19)1H |
InChI Key: | XPXSEEVHCPYDCI-UHFFFAOYSA-N |
Melting Point: | >230°C |
Solubility: | DMSO (Slightly), Methanol (Slightly), Water (Slightly) |
Appearance: | Light Yellow to Yellow Solid |
Storage: | 4°C, Hygroscopic |
Complexity: | 395 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 388.07462 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 388.07462 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 122Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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