7-Bromomethylpterine

CAT: 0024-sc-391578Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-391578Size:10 mg

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CAS Number

622411-17-0

Chemical Information

7-Bromomethylpterine

CAS Number	622411-17-0
PubChem CID	136257822
IUPAC Name	2-amino-7-(bromomethyl)-3H-pteridin-4-one;hydrobromide
Molecular Formula	C7H7Br2N5O
Molecular Weight	336.97
Topological Polar Surface Area	93.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	15
Formal Charge	0
Complexity	281

SMILES

C1=C(N=C2C(=N1)C(=O)NC(=N2)N)CBr.Br

InChI

InChI=1S/C7H6BrN5O.BrH/c8-1-3-2-10-4-5(11-3)12-7(9)13-6(4)14;/h2H,1H2,(H3,9,11,12,13,14);1H

InChIKey

IQJSUANPCAYDFX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 622411-17-0

CID: 136257822

Formula: C7H7Br2N5O

MW: 336.97

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	336.97
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	336.89969
Monoisotopic Mass	334.90174
Topological Polar Surface Area	93.3 Å²
Heavy Atom Count	15
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	2
Compound Is Canonicalized	Yes

Catalog	Name
MBS6060227-01	7-Bromomethylpterine
X-LCP-105	7.7 MAG
TBZ1236	7,7α-Diepialexine
GTR18027105	7.7 Antibody
H998456	Heptanoic-7,7,7-d3 Acid
B683892	1-Bromoheptane-7,7,7-d3
168296	IL-7 (IL7, IL-7 Interleukin 7, Interleukin-7)
C 214-05	7- Cyano- 7- deazainosine (7-CN-7-C-Ino / Jaspamycin)
168298	IL-7 (IL7, IL-7 Interleukin 7, Interleukin-7) (HRP)
MBS256737-01	7-Cyano-7-deazainosine (7-CN-7-C-Ino / Jaspamycin)