(4R,4aS,7aR,12bS)-3-(Cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-9-carboxamide

cas: 421552-35-4 — see every product listed under this CAS number, including other names

(4R,4aS,7aR,12bS)-3-(Cyclopropylmethyl)-4a-hydroxy-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-9-carboxamide (CAS 421552-35-4) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

• 2D
• 3D

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide (CAS 421552-35-4) is a chemical compound with the molecular formula C21H24N2O4 and a molecular weight of 368.4 g/mol. IUPAC name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide. InChIKey: QAICPHMNUHNDMC-WUHBCXKYSA-N.

Identity

Molecular formula	C21H24N2O4
Molecular weight	368.4 g/mol
IUPAC name	(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-9-carboxamide
InChIKey	QAICPHMNUHNDMC-WUHBCXKYSA-N
SMILES	C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)C(=O)N)O5)O

Computed by PubChem (NCBI)

Synonyms: 3-desoxy-3-carboxamidonaltrexone, 3-Carboxamidonaltrexone, Naltrexone Impurity 80, QAICPHMNUHNDMC-WUHBCXKYSA-N, (5a)-17-(cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-carboxamide

Isomers (same molecular formula)

(2R)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid C₂₁H₂₄N₂O₄

(2R)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid C₂₁H₂₄N₂O₄

(2S)-6-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid C₂₁H₂₄N₂O₄

(2S)-2-amino-6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid C₂₁H₂₄N₂O₄

8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one C₂₁H₂₄N₂O₄

3-[5-(2-nitropropyl)-2,3-dihydroindol-1-yl]propyl benzoate C₂₁H₂₄N₂O₄

methyl (1S,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate C₂₁H₂₄N₂O₄

methyl (1S,4aS,5aS,6S,10aS)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate C₂₁H₂₄N₂O₄

methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate C₂₁H₂₄N₂O₄

4-(4-ethoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole C₂₁H₂₄N₂O₄

2-[(Z)-1-(4-methylphenyl)-3-pyrrolidin-1-ylprop-1-enyl]pyridine;oxalic acid C₂₁H₂₄N₂O₄

methyl (1R,4aS,5aS,6S,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate C₂₁H₂₄N₂O₄