Chem
J-GLOBAL ID:200907024372407987   Nikkaji number:J2.560.609D

(8R)-6,7-Dibromo-8β,8aβ-[2-(2,2,2-trichloroethoxysulfonyl)guanidine-1,3-diyl]-2,3,8,8aβ-tetrahydro-1H,4H-3a,7a-diaza-s-indacene-4-one

(8R)-6,7-ジブロモ-8β,8aβ-[2-(2,2,2-トリクロロエトキシスルホニル)グアニジン-1,3-ジイル]-2,3,8,8aβ-テトラヒドロ-1H,4H-3a,7a-ジアザ-s-インダセン-4-オン
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: C13H12Br2Cl3N5O4S
Molecular formula furigana: C13-H12-BR2-CL3-N5-O4-S
Molecular weight: 600.490
InChI: InChI=1S/C13H12Br2Cl3N5O4S/c14-6-4-7-9(24)22-3-1-2-12(22)10(23(7)8(6)15)19-11(20-12)21-28(25,26)27-5-13(16,17)18/h4,10H,1-3,5H2,(H2,19,20,21)/t10-,12+/m1/s1
InChI key: YQXJOFUKXLFVET-PWSUYJOCSA-N
SMILES: ClC(Cl)(Cl)COS(=O)(=O)N=C1N[C@@H]2n3c(Br)c(Br)cc3C(=O)N3CCC[C@@]23N1
Systematic name  (3):
  • (8R)-6,7-ジブロモ-8β,8aβ-[2-(2,2,2-トリクロロエトキシスルホニル)グアニジン-1,3-ジイル]-2,3,8,8aβ-テトラヒドロ-1H,4H-3a,7a-ジアザ-s-インダセン-4-オン
  • 2,2,2-トリクロロエチル N-[(1S,5R)-7,8-ジブロモ-11-オキソ-2,4,6,12-テトラアザテトラシクロ[10.3.0.01,5.06,10]ペンタデカ-7,9-ジエン-3-イリデン]スルファマート
  • 2,2,2-trichloroethyl N-[(1S,5R)-7,8-dibromo-11-oxo-2,4,6,12-tetraazatetracyclo[10.3.0.01,5.06,10]pentadeca-7,9-dien-3-ylidene]sulfamate
Other name (1):
  • (8R)-6,7-Dibromo-8β,8aβ-[2-(2,2,2-trichloroethoxysulfonyl)guanidine-1,3-diyl]-2,3,8,8aβ-tetrahydro-1H,4H-3a,7a-diaza-s-indacene-4-one
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