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Chemical structure of 4-Nitrophenyl 4-guanidinobenzoate hydrochloride

GC70791

4-Nitrophenyl 4-guanidinobenzoate hydrochloride

Also known as (4-nitrophenyl) 4-(diaminomethylideneamino)benzoate;hydrochloride

4-Nitrophenyl 4-guanidinobenzoate (NPGB) hydrochloride is a potent sperm acrosin inhibitor, and also a trypsin substrate

ChemicalCAS19135-17-2MW336.73FormulaC14H13ClN4O4
CAS number
19135-17-2
Molecular weight
336.73
Formula
C14H13ClN4O4
Solubility
DMSO ： 100 mg/mL (296·97 mM; ultrasonic and warming and heat to 80°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
PKSBDZOBYIKNGY-UHFFFAOYSA-N
Catalogue number
GC70791
Brand
GLPBIO
Computed properties PubChem CID 2853494 · TPSA 137 Ų · H-bond donors 3 · H-bond acceptors 5
TPSA
137 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

SMILES C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])N=C(N)N.Cl

Computed descriptors from PubChem (CID 2853494), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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