Agelastatin A

Agelastatin A

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Catalog Number ACM152406285
CAS Number 152406-28-5
Synonyms (-)-Agelastatin A
Molecular Weight 341.16
InChI InChI=1S/C12H13BrN4O3/c1-16-11(19)15-9-8-6(4-12(9,16)20)17-5(10(18)14-8)2-3-7(17)13/h2-3,6,8-9,20H,4H2,1H3,(H,14,18)(H,15,19)/t6-,8-,9+,12+/m1/s1
InChI Key MPASKXAEPUAMBS-WJOUQXRDSA-N
Melting Point 193 °C
Purity 90%+
Complexity 503
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 4
Exact Mass 340.0171
Heavy Atom Count 20
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
Isomeric SMILES CN1C(=O)N[C@@H]2[C@]1(C[C@@H]3[C@H]2NC(=O)C4=CC=C(N34)Br)O
Monoisotopic Mass 340.0171
Rotatable Bond Count 0
Topological Polar Surface Area 86.6 Ų

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