Terlipressin Impurity 44

CAT: 1299-RM-T181844-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-T181844-02Size:25 mg

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CAS Number

2386594-45-0

Synonyms

Methyl 2-amino-4-cyano-3-fluorobenzoate

Molecular Formula

C9H7FN2O2

Molecular Weight

194.17

Product Name Synonym

Methyl 2-amino-4-cyano-3-fluorobenzoate

Chemical Information

Terlipressin Impurity 44

CAS Number	2386594-45-0
PubChem CID	178247595
IUPAC Name	methyl 2-amino-4-cyano-3-fluorobenzoate
Molecular Formula	C9H7FN2O2
Molecular Weight	194.16
XLogP	1.5
Topological Polar Surface Area	76.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	273

SMILES

COC(=O)C1=C(C(=C(C=C1)C#N)F)N

InChI

InChI=1S/C9H7FN2O2/c1-14-9(13)6-3-2-5(4-11)7(10)8(6)12/h2-3H,12H2,1H3

InChIKey

OMDMKFLIHNWWBA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2386594-45-0

CID: 178247595

Formula: C9H7FN2O2

MW: 194.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.16
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	194.04915563
Monoisotopic Mass	194.04915563
Topological Polar Surface Area	76.1 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
RM-T181842-01	Terlipressin Impurity 42
RM-T182001-01	Terlipressin Impurity 40
RM-T181934-01	Terlipressin Impurity 34 (Glu7)
RM-T181843-01	Terlipressin Impurity 43 (Ava10)
RM-T181933-01	Terlipressin Impurity 33 (Ac-Gly1)
RM-T181935-01	Terlipressin Impurity 35 (Gly12-Oh)
RM-T181841-01	Terlipressin Impurity 41 (Beta-Asp8)
RM-T181939-01	Terlipressin Impurity 39 (D-Gln7)
RM-T181840-01	Terlipressin Impurity 40 (D-Asn8)
RM-T181936-01	Terlipressin Impurity 36 (Asp8, Gly12-Oh)

Catalog	Name
CS-O-44547	Terlipressin Impurity A
CS-O-16466	Terlipressin Impurity Mixture
CS-O-44548	Terlipressin Impurity B
CS-O-44549	Terlipressin Impurity C
AR-T01658-01	Terlipressin Impurity (ßAla-Gly12)
AR-T01647-01	Terlipressin EP Impurity A (TFA Salt)
AR-T01656-01	Terlipressin EP Impurity L (TFA Salt)
AR-T01657-01	Terlipressin EP Impurity K (TFA Salt)
AR-T01648-01	Terlipressin EP Impurity B (TFA salt)
AR-T01649-01	Terlipressin EP Impurity C (TFA Salt)