1H-Indole-3-carboxylic acid, (3aR,4R,5R,7R,7aS)-2-[3-(dimethylamino)propyl]octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, hydrochloride (1:1), rel-
CAS Registry Number®
59496-26-3
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CAS Name
1H-Indole-3-carboxylic acid, (3aR,4R,5R,7R,7aS)-2-[3-(dimethylamino)propyl]octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, hydrochloride (1:1), rel-Molecular Formula
C23H27N3O4.ClHCite this Page
1H-Indole-3-carboxylic acid, (3aR,4R,5R,7R,7aS)-2-[3-(dimethylamino)propyl]octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, hydrochloride (1:1), rel-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=59496-26-3 (retrieved ) (CAS RN: 59496-26-3). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1/C23H27N3O4.ClH/c1-25(2)8-5-9-26-21(27)19-13-10-15(20(19)22(26)28)18(11-13)30-23(29)16-12-24-17-7-4-3-6-14(16)17;/h3-4,6-7,12-13,15,18-20,24H,5,8-11H2,1-2H3;1H/t13-,15+,18-,19+,20-;/s2
InChIKey
InChIKey=SEYPSTRDPZHIHU-QXAZCBNGNA-N
SMILES
O=C1[C@]2([C@]([C@@]3(C[C@]2([C@H](OC(=O)C=4C=5C(NC4)=CC=CC5)C3)[H])[H])(C(=O)N1CCCN(C)C)[H])[H].Cl
Canonical SMILES
Cl.O=C(OC1CC2CC1C3C(=O)N(C(=O)C32)CCCN(C)C)C4=CNC=5C=CC=CC54
Other Names for this Substance
- 1H-Indole-3-carboxylic acid, (3aR,4R,5R,7R,7aS)-2-[3-(dimethylamino)propyl]octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, hydrochloride (1:1), rel-
- 1H-Indole-3-carboxylic acid, 2-[3-(dimethylamino)propyl]octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3aα,4α,5β,7α,7aα)-(±)-
- 1H-Indole-3-carboxylic acid, 2-[3-(dimethylamino)propyl]octahydro-1,3-dioxo-4,7-methano-1H-isoindol-5-yl ester, monohydrochloride, (3aα,4α,5β,7α,7aα)-
- 4,7-Methano-1H-isoindole, 1H-indole-3-carboxylic acid deriv.
Deleted or Replaced CAS Registry Numbers
83114-37-8
