SCHEMBL34467
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
Molecular Identity
SCHEMBL34467
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid
PubChem CID: 66586232
2D Structure
Properties
C28H42Cl2N10O7
Molecular Formula
701.60
Molecular Weight
g/mol
700.2615
Exact Mass
Da
316
TPSA
May have limited oral absorption
12
H-Bond Donors
9
H-Bond Acceptors
819
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C(C(C(C(C(C(=O)O)O)O)O)O)OIsomeric SMILES
SMILES: C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)OSynonyms(3)
SCHEMBL34467KUXUALPOSMRJSW-IFWQJVLJSA-NCHG
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to SCHEMBL34467
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