Fervenulin

CAT: 0127-BUP08700-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP08700-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

483-57-8

Purity

=98%

Smiles

Cn1c2nncnc2c(=O)n(C)c1=O

Chemical Information

6,8-Dimethylpyrimido(5,4-e)-1,2,4-triazine-5,7(6H,8H)-dione

Fervenulin is a 9,11,15-octadecatrienoic acid.

CAS Number	483-57-8
PubChem CID	249646
IUPAC Name	6,8-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione
Molecular Formula	C7H7N5O2
Molecular Weight	193.16
XLogP	-1.2
Topological Polar Surface Area	79.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Heavy Atom Count	14
Formal Charge	0
Complexity	281

SMILES

CN1C2=C(C(=O)N(C1=O)C)N=CN=N2

InChI

InChI=1S/C7H7N5O2/c1-11-5-4(8-3-9-10-5)6(13)12(2)7(11)14/h3H,1-2H3

InChIKey

RRTKVYSLIGQWCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 483-57-8

CID: 249646

Formula: C7H7N5O2

MW: 193.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	193.16
XLogP3	-1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	193.05997448
Monoisotopic Mass	193.05997448
Topological Polar Surface Area	79.3 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	281
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
F048-25MG	Fervenulin