Chem
J-GLOBAL ID：200907091644117001   Nikkaji number：J1.339.442C

Batzelladine D

バツェラジンD
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： C25H47N5[N+]O2
Molecular formula furigana： C25-H47-N6-O2
Molecular weight： 463.690
InChI： InChI=1S/C25H46N6O2/c1-3-4-5-6-7-8-9-12-19-17-20-13-14-21-22(18(2)29-25(30-19)31(20)21)23(32)33-16-11-10-15-28-24(26)27/h18-22H,3-17H2,1-2H3,(H5,26,27,28,29,30)/p+1/t18-,19-,20+,21+,22+/m1/s1
InChI key： BVRBHCVKQWKMEL-AANPDWTMSA-O
SMILES： CCCCCCCCC[C@@H]1C[C@@H]2CC[C@H]3[C@H]([C@@H](C)NC(=[N+]23)N1)C(=O)OCCCCNC(=N)N
Systematic name  (3)：
  • (2aS)-4β-メチル-7α-ノニル-1,2,2aα,3,4,5,6,7,8,8aβ-デカヒドロ-5,6-ジアザ-8b-アゾニアアセナフチレン-3β-カルボン酸4-グアニジノブチル
  • (1S,4S,5S,6R,10R)-5-[(4-カルバムイミドアミドブトキシ)カルボニル]-6-メチル-10-ノニル-7,9,12λ5-トリアザトリシクロ[6.3.1.04,12]ドデカ-8(12)-エン-12-イリウム
  • (1S,4S,5S,6R,10R)-5-[(4-carbamimidamidobutoxy)carbonyl]-6-methyl-10-nonyl-7,9,12λ5-triazatricyclo[6.3.1.04,12]dodec-8(12)-en-12-ylium
Other name (3)：
  • (2aS)-4β-Methyl-7α-nonyl-1,2,2aα,3,4,5,6,7,8,8aβ-decahydro-5,6-diaza-8b-azoniaacenaphthylene-3β-carboxylic acid 4-guanidinobutyl ester
  • バツェラジンD
  • Batzelladine D
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