Lamivudine EP Impurity B

CAT: 1299-RM-L130602-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L130602-01Size:10 mg

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CAS Number

131086-22-1

Synonyms

4-amino-1-[ (2RS,5RS) -2- (hydroxymethyl) -1,3-oxathiolan5-yl]pyrimidin-2 (1H) -one ((±) -trans-lamivudine)

Molecular Formula

C8H11N3O3S

Molecular Weight

229.26

Target Alternative Name

Lamivudine

Product Name Synonym

4-amino-1-[ (2RS,5RS) -2- (hydroxymethyl) -1,3-oxathiolan5-yl]pyrimidin-2 (1H) -one ((±) -trans-lamivudine)

Chemical Information

Lamivudine, (A+-)-trans-

CAS Number	131086-22-1
PubChem CID	6540852
IUPAC Name	4-amino-1-[(2S,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]pyrimidin-2-one
Molecular Formula	C8H11N3O3S
Molecular Weight	229.26
XLogP	-0.9
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	331

SMILES

C1[C@H](O[C@@H](S1)CO)N2C=CC(=NC2=O)N

InChI

InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m0/s1

InChIKey

JTEGQNOMFQHVDC-BQBZGAKWSA-N

Chemical Structure

2D Structure

CAS: 131086-22-1

CID: 6540852

Formula: C8H11N3O3S

MW: 229.26

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	229.26
XLogP3	-0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	229.05211239
Monoisotopic Mass	229.05211239
Topological Polar Surface Area	113 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	331
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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-L130601-01	Lamivudine EP Impurity A
RM-L130607-01	Lamivudine EP Impurity G
RM-L130610-01	Lamivudine EP Impurity J
RM-L130611-01	Lamivudine EP Impurity H
RM-L130609-01	Lamivudine EP Impurity I
RM-L130604-01	Lamivudine EP Impurity D
RM-L130605-01	Lamivudine EP Impurity E; Gemcitabine EP Impurity A
RM-U010300-01	Uracil; Lamivudine EP Impurity F; Fluorouracil EP Impurity C
RM-L130644-01	Lamivudine EP Impurity A (2S,5R-Isomer)
RM-L130639-01	Lamivudine EP Impurity A (2R,5S-Isomer)