Chem
J-GLOBAL ID:200907097402715409   Nikkaji number:J720.825A

L-736380

1-[(2,3-ジヒドロ-1-メチル-2-オキソ-5-シクロヘキシル-1H-1,4-ベンゾジアゼピン)-3α-イル]-3-[3-[(1H-テトラゾール-5-イル)(メチル)アミノ]フェニル]尿素
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: C25H29N9O2
Molecular formula furigana: C25-H29-N9-O2
Molecular weight: 487.568
InChI: InChI=1S/C25H29N9O2/c1-33(24-29-31-32-30-24)18-12-8-11-17(15-18)26-25(36)28-22-23(35)34(2)20-14-7-6-13-19(20)21(27-22)16-9-4-3-5-10-16/h6-8,11-16,22H,3-5,9-10H2,1-2H3,(H2,26,28,36)(H,29,30,31,32)/t22-/m0/s1
InChI key: MYPNMQPMQUAOTH-QFIPXVFZSA-N
SMILES: CN(c1nnn[nH]1)c1cccc(NC(=O)N[C@@H]2N=C(C3CCCCC3)c3ccccc3N(C)C2=O)c1
Systematic name  (3):
  • 1-[(2,3-ジヒドロ-1-メチル-2-オキソ-5-シクロヘキシル-1H-1,4-ベンゾジアゼピン)-3α-イル]-3-[3-[(1H-テトラゾール-5-イル)(メチル)アミノ]フェニル]尿素
  • 1-[(3R)-5-シクロヘキシル-1-メチル-2-オキソ-2,3-ジヒドロ-1H-1,4-ベンゾジアゼピン-3-イル]-3-{3-[メチル(1H-1,2,3,4-テトラゾール-5-イル)アミノ]フェニル}尿素
  • 1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-3-{3-[methyl(1H-1,2,3,4-tetrazol-5-yl)amino]phenyl}urea
Other name (2):
  • L-736380
  • 1-[(2,3-Dihydro-1-methyl-2-oxo-5-cyclohexyl-1H-1,4-benzodiazepin)-3α-yl]-3-[3-[(1H-tetrazol-5-yl)(methyl)amino]phenyl]urea
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