CAS 6036-47-1: Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, hydrate (1:3)

Formula: C₂₃H₂₇NO₈·3H₂O

InChI: InChI=1S/C23H27NO8.3H2O/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27;;;/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27);3*1H2

InChI key: InChIKey=MYBNKRVFDPXQSN-UHFFFAOYSA-N

SMILES: O=C(O)C1=C(OC)C(OC)=CC=C1C(=O)CC2=C(OC)C=3OCOC3C=C2CCN(C)C.O

Synonyms:

• Narceine trihydrate
• Benzoic acid, 6-[[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, trihydrate
• Benzoic acid, 6-[2-[6-[2-(dimethylamino)ethyl]-4-methoxy-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-, hydrate (1:3)
• o-Veratric acid, 6-[[6-[2-(dimethylamino)ethyl]-2-methoxy-3,4-(methylenedioxy)phenyl]acetyl]-, trihydrate

Narceine trihydrate

CAS: 6036-47-1

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• Formula: C₂₃H₂₇NO₈·3H₂O
• Purity: (Ex Nitrogen Content) Min. 98%
• Color and Shape: White Powder
• Molecular weight: 499.51 g/mol