Zolmitriptan Impurity 1

CAT: 1596-AR-Z01124-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-Z01124-02Size:25 Units

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CAS Number

187975-62-8

Synonyms

(S) -4- (4-hydrazinylbenzyl) oxazolidin-2-one; (S) -4- (4-Hydrazinylbenzyl) oxazolidin-2-one; (4S) -4beta- (4-Hydrazinobenzyl) oxazolidin-2-one

Molecular Formula

C10H13N3O2

Molecular Weight

207.23

API Name

Zolmitriptan

Chemical Information

(S)-4-(4-hydrazinobenzyl)-2-oxazolidinone

CAS Number	187975-62-8
PubChem CID	9990596
IUPAC Name	(4S)-4-[(4-hydrazinylphenyl)methyl]-1,3-oxazolidin-2-one
Molecular Formula	C10H13N3O2
Molecular Weight	207.23
XLogP	1
Topological Polar Surface Area	76.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	227

SMILES

C1[C@@H](NC(=O)O1)CC2=CC=C(C=C2)NN

InChI

InChI=1S/C10H13N3O2/c11-13-8-3-1-7(2-4-8)5-9-6-15-10(14)12-9/h1-4,9,13H,5-6,11H2,(H,12,14)/t9-/m0/s1

InChIKey

RLXBEGPKQKEJBN-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 187975-62-8

CID: 9990596

Formula: C10H13N3O2

MW: 207.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	207.23
XLogP3	1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	207.100776666
Monoisotopic Mass	207.100776666
Topological Polar Surface Area	76.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	227
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A06226-01	Zolmitriptan Nitroso Impurity 1
AR-Z01398-01	Zolmitriptan Impurity 21
AR-Z01387-01	Zolmitriptan Impurity 23
AR-Z01139-01	Zolmitriptan Impurity 8
AR-Z01131-01	Zolmitriptan hydroxymethyl Impurity
AR-Z01392-01	Zolmitriptan Impurity 13
AR-Z01142-01	Zolmitriptan Aminopropanol Impurity
AR-Z01388-01	Zolmitriptan Impurity 24
AR-Z01382-01	Zolmitriptan Impurity 6
AR-Z01141-01	Zolmitriptan Impurity 10

Catalog	Name
CS-IP-00378	Zolmitriptan Impurity C
RM-Z132018-01	Zolmitriptan Impurity 18
RM-Z132013-01	Zolmitriptan Impurity 13
CS-EO-04018	Zolmitriptan Impurity 3
CS-EO-01449	Zolmitriptan hydroxymethyl Impurity
RM-Z132021-01	Zolmitriptan Impurity 21
RM-Z132012-01	Zolmitriptan Impurity 12
RM-Z132017-01	Zolmitriptan Impurity 17
RM-Z132011-01	Zolmitriptan Impurity 11
RM-Z132009-01	β-Carboline Zolmitriptan; Zolmitriptan EP Impurity H