Chem
J-GLOBAL ID:200907045864446322
Nikkaji number:J246.968E
Bretazenil
ブレタゼニル
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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:
C19 H20 BrN3 O3
Molecular formula furigana:
C19-H20-BR-N3-O3
Molecular weight:
418.291
InChI:
InChI=1S/C19H20BrN3O3/c1-19(2,3)26-18(25)15-16-13-8-5-9-22(13)17(24)14-11(20)6-4-7-12(14)23(16)10-21-15/h4,6-7,10,13H,5,8-9H2,1-3H3/t13-/m0/s1
InChI key:
LWUDDYHYYNNIQI-ZDUSSCGKSA-N
SMILES:
CC(C)(C)OC(=O)c1ncn2c1[C@@H]1CCCN1C(=O)c1c(Br)cccc21
Systematic name (5):
(13aS)-8-ブロモ-11,12,13,13a-テトラヒドロ-9-オキソ-9H-イミダゾ[1,5-a]ピロロ[2,1-c][1,4]ベンゾジアゼピン-1-カルボン酸1,1-ジメチルエチル
(13aS)-8-ブロモ-9-オキソ-11,12,13,13a-テトラヒドロ-9H-イミダゾ[1,5-a]ピロロ[2,1-c][1,4]ベンゾジアゼピン-1-カルボン酸tert-ブチル
(4S)-6-オキソ-7-ブロモ-4α,5-プロパノ-5,6-ジヒドロ-4H-イミダゾ[1,5-a][1,4]ベンゾジアゼピン-3-カルボン酸tert-ブチル
tert-ブチル (7S)-14-ブロモ-12-オキソ-2,4,11-トリアザテトラシクロ[11.4.0.02,6 .07,11 ]ヘプタデカ-1(17),3,5,13,15-ペンタエン-5-カルボキシラート
tert-butyl (7S)-14-bromo-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6 .07,11 ]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
Other name (5):
Ro-16-6028
ブレタゼニル
Bretazenil
(13aS)-8-Bromo-9-oxo-11,12,13,13a-tetrahydro-9H-imidazo[1,5-a]pyrrolo[2,1-c][1,4]benzodiazepine-1-carboxylic acid tert-butyl ester
(4S)-6-Oxo-7-bromo-4α,5-propano-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid tert-butyl ester
CAS registry number:
84379-13-5
Application (1):
benzodiazepine antianxiety drug
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