(4'R,4a'S,7a'R,12b'S)-3'-(Cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro((1,3)dioxolane-2,7'-(4,12)methanobenzofuro(3,2-e)isoquinoline)-9'-carboxamide

cas: 361525-83-9 — see every product listed under this CAS number, including other names

(4'R,4a'S,7a'R,12b'S)-3'-(Cyclopropylmethyl)-4a'-hydroxy-2',3',4',4a',5',6'-hexahydro-1'H,7a'H-spiro((1,3)dioxolane-2,7'-(4,12)methanobenzofuro(3,2-e)isoquinoline)-9'-carboxamide (CAS 361525-83-9) is a chemical reagent available from Chemat. Available pack sizes: 10mg. Offered by: TRC.

• 2D
• 3D

(4'R,4'aS,7'aR,12'bS)-3'-(cyclopropylmethyl)-4'a-hydroxyspiro[1,3-dioxolane-2,7'-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]-9'-carboxamide (CAS 361525-83-9) is a chemical compound with the molecular formula C23H28N2O5 and a molecular weight of 412.5 g/mol. IUPAC name: (4'R,4'aS,7'aR,12'bS)-3'-(cyclopropylmethyl)-4'a-hydroxyspiro[1,3-dioxolane-2,7'-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]-9'-carboxamide. InChIKey: YMIIVFVEXFAGHQ-ZINXYGQCSA-N.

Identity

Molecular formula	C23H28N2O5
Molecular weight	412.5 g/mol
IUPAC name	(4'R,4'aS,7'aR,12'bS)-3'-(cyclopropylmethyl)-4'a-hydroxyspiro[1,3-dioxolane-2,7'-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline]-9'-carboxamide
InChIKey	YMIIVFVEXFAGHQ-ZINXYGQCSA-N
SMILES	C1CC1CN2CC[C@]34[C@@H]5C6(CC[C@]3([C@H]2CC7=C4C(=C(C=C7)C(=O)N)O5)O)OCCO6

Computed by PubChem (NCBI)

Synonyms: Samidorphan Impurity 1, Samidorphan isoquinoline dioxolane

Isomers (same molecular formula)

(2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid C₂₃H₂₈N₂O₅

(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid C₂₃H₂₈N₂O₅

methyl (1R,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate C₂₃H₂₈N₂O₅

tert-butyl N-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropyl]carbamate C₂₃H₂₈N₂O₅

tert-butyl N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropyl]carbamate C₂₃H₂₈N₂O₅

1-O-benzyl 2-O-methyl (5R)-3-(4-methoxy-N-methylanilino)-5-methylpyrrolidine-1,2-dicarboxylate C₂₃H₂₈N₂O₅

(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid C₂₃H₂₈N₂O₅

(2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid C₂₃H₂₈N₂O₅

4-methyl-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid C₂₃H₂₈N₂O₅

(2S,3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-hydroxy-2-[[(1S)-2-hydroxy-1-phenylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one C₂₃H₂₈N₂O₅

(2R)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoic acid C₂₃H₂₈N₂O₅

methyl (1S,15S,16S,20S)-6,7-dimethoxy-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,18-pentaene-19-carboxylate C₂₃H₂₈N₂O₅