CAS
3139-5-7 Purity
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3139-5-7 Purity
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Phps1 sodium salt hydrate
CAS
314291-83-3
Catalog Number
ACM314291833
Category
Other Products
Molecular Weight
487.42 (anhydrous basis)
Molecular Formula
C21H14N5O6SNa.xH2O
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Specification
Synonyms
PTP Inhibitor V, PHPS1, CTK8E6636, 314291-83-3
IUPAC Name
[4-[2-[3-[4-(nitromethyl)phenyl]-5-oxo-1-phenylpyrazol-4-ylidene]hydrazinyl]phenyl]methanesulfonic acid
Canonical SMILES
C1=CC=C(C=C1)N2C(=O)C(=NNC3=CC=C(C=C3)CS(=O)(=O)O)C(=N2)C4=CC=C(C=C4)C[N+](=O)[O-]
InChI Key
KBLJIIAXVBCEHO-UHFFFAOYSA-N
Exact Mass
493.10600
H-Bond Acceptor
9
H-Bond Donor
2
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