BROMERGURIDE

BROMERGURIDE

Name: BROMERGURIDE

CAS: 83455-48-5

Formula: C20 H25 Br N4 O

Weight: 417.349

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Name: BROMERGURIDE
CAS: 83455-48-5
Synonyms: BROMERGURIDE
MDL.: MFCD00868456
H bond acceptor: 5
H bond donor: 2
Smile: CCN(CC)C(=O)N[C@@H]1CN([C@@H]2Cc3c4c(cccc4[nH]c3Br)C2=C1)C
InChi: InChI=1S/C20H25BrN4O/c1-4-25(5-2)20(26)22-12-9-14-13-7-6-8-16-18(13)15(19(21)23-16)10-17(14)24(3)11-12/h6-9,12,17,23H,4-5,10-11H2,1-3H3,(H,22,26)/t12-,17+/m0/s1
InChiKey: InChIKey=SBHNNNRQZGYOAU-YVEFUNNKSA-N