Benserazide EP Impurity C

CAT: 1299-RM-B191803-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B191803-02Size:25 mg

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CAS Number

787504-88-5

Synonyms

(2RS) -2-Amino-3-hydroxy-2′-[ (1EZ) - (2,3,4-trihydroxybenzylidene) ] propanohydrazide

Molecular Formula

C10H13N3O5

Molecular Weight

255.23

Target Alternative Name

Benserazide

Product Name Synonym

(2RS) -2-Amino-3-hydroxy-2′-[ (1EZ) - (2,3,4-trihydroxybenzylidene) ] propanohydrazide

Chemical Information

(S,E)-2-Amino-3-hydroxy-N'-(2,3,4-trihydroxybenzylidene)propanehydrazide

CAS Number	787504-88-5
PubChem CID	135504303
IUPAC Name	2-amino-3-hydroxy-N-[(E)-(2,3,4-trihydroxyphenyl)methylideneamino]propanamide
Molecular Formula	C10H13N3O5
Molecular Weight	255.23
XLogP	-1.5
Topological Polar Surface Area	148
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Heavy Atom Count	18
Formal Charge	0
Complexity	312

SMILES

C1=CC(=C(C(=C1/C=N/NC(=O)C(CO)N)O)O)O

InChI

InChI=1S/C10H13N3O5/c11-6(4-14)10(18)13-12-3-5-1-2-7(15)9(17)8(5)16/h1-3,6,14-17H,4,11H2,(H,13,18)/b12-3+

InChIKey

ZYTUVQILDHABLA-KGVSQERTSA-N

Chemical Structure

2D Structure

CAS: 787504-88-5

CID: 135504303

Formula: C10H13N3O5

MW: 255.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	255.23
XLogP3	-1.5
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	255.08552052
Monoisotopic Mass	255.08552052
Topological Polar Surface Area	148 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	312
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes