| SpectraBase Spectrum ID |
F21AXI1HfqB |
| Name |
4-Amino-3-iodobenzoyl ecgonine methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21IN2O4 |
| InChI |
InChI=1S/C17H21IN2O4/c1-20-11-5-6-12(20)14(17(23)24-2)16(22)13(11)15(21)8-3-4-10(19)9(18)7-8/h3-4,7,11-14,16,22H,5-6,19H2,1-2H3/t11-,12+,13?,14+,16-/m0/s1 |
| InChIKey |
IERFBAMJSHUPNX-YHVWBBCZSA-N |
| Molecular Weight |
444.269 g/mol |
| SMILES |
O[C@@]1([C@@]([C@@]2(N([C@](C1C(c1ccc(c(c1)I)N)=O)(CC2)[H])C)[H])(C(=O)OC)[H])[H] |
| SPLASH |
splash10-000t-9200200000-520e7c95dd86f3867d99 |
| Source of Spectrum |
F-67-8624-0 |
| Synonyms |
Methyl (1R,2R,3S,5S)-4-(4-amino-3-iodobenzoyl)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate |
| Wiley ID |
1571305 |
