Chem
J-GLOBAL ID：201707002708905793   Nikkaji number：J3.645.790B

1-[Methyl(carboxylatomethyl)amino]-3-(2-hydroxyethylamino)-5-(hydroxymethyl)-5-hydroxy-2-methoxy-1,2-cyclohexadiene-2-ium

1-[メチル(カルボキシラトメチル)アミノ]-3-(2-ヒドロキシエチルアミノ)-5-(ヒドロキシメチル)-5-ヒドロキシ-2-メトキシ-1,2-シクロヘキサジエン-2-イウム
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12[C+]H22N2O5[O-]
Molecular formula furigana： C13-H22-N2-O6
Molecular weight： 302.327
InChI： InChI=1S/C13H23N2O6/c1-15(7-11(18)19)10-6-13(20,8-17)5-9(12(10)21-2)14-3-4-16/h14,16-17,20H,3-8H2,1-2H3,(H,18,19)/q+1/p-1
InChI key： QFLBPVKLMLHDBZ-UHFFFAOYSA-M
SMILES： CO[C+]1=C(CC(O)(CO)CC=1NCCO)N(C)CC(=O)[O-]
Systematic name  (3)：
  • 1-[メチル(カルボキシラトメチル)アミノ]-3-(2-ヒドロキシエチルアミノ)-5-(ヒドロキシメチル)-5-ヒドロキシ-2-メトキシ-1,2-シクロヘキサジエン-2-イウム
  • 2-[(カルボキシラトメチル)(メチル)アミノ]-4-ヒドロキシ-6-[(2-ヒドロキシエチル)アミノ]-4-(ヒドロキシメチル)-1-メトキシシクロヘキサ-1,1(6)-ジエン-1-イウム
  • 2-[(carboxylatomethyl)(methyl)amino]-4-hydroxy-6-[(2-hydroxyethyl)amino]-4-(hydroxymethyl)-1-methoxycyclohexa-1,1(6)-dien-1-ium
Other name (1)：
  • 1-[Methyl(carboxylatomethyl)amino]-3-(2-hydroxyethylamino)-5-(hydroxymethyl)-5-hydroxy-2-methoxy-1,2-cyclohexadiene-2-ium
Thsaurus map：
Thesaurus Map

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