Etoposide EP Impurity P

CAT: 1596-AR-E08904-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E08904-01Size:25 Units

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CAS Number

117669-31-5

Synonyms

9-Hydroxy-5- (4-hydroxy-3,5-dimethoxyphenyl) [2]benzofuro[5,6-f][1,3]benzodioxol-6 (8H) -one

Molecular Formula

C21H16O8

Molecular Weight

396.35

API Name

Etoposide

Chemical Information

4'-Demethyldehydropodophyllotoxin

CAS Number	117669-31-5
PubChem CID	15232507
IUPAC Name	5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-6H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Formula	C21H16O8
Molecular Weight	396.3
XLogP	3.3
Topological Polar Surface Area	104
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Heavy Atom Count	29
Formal Charge	0
Complexity	614

SMILES

COC1=CC(=CC(=C1O)OC)C2=C3C(=C(C4=CC5=C(C=C42)OCO5)O)COC3=O

InChI

InChI=1S/C21H16O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,22-23H,7-8H2,1-2H3

InChIKey

BBMUNWUDCBRTKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 117669-31-5

CID: 15232507

Formula: C21H16O8

MW: 396.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	396.3
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	396.08451746
Monoisotopic Mass	396.08451746
Topological Polar Surface Area	104 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	614
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
AR-E08897-01	Etoposide EP Impurity A
AR-E02168-01	Etoposide EP Impurity B (cis-Etoposide)
AR-E08902-01	Etoposide EP Impurity J
AR-E08901-01	Etoposide EP Impurity I
AR-E08898-01	Etoposide EP Impurity F
AR-E02166-01	Etoposide EP Impurity C
AR-E02167-01	Etoposide EP Impurity D
AR-E08905-01	Etoposide EP Impurity Q
AR-E02172-01	Etoposide EP Impurity O
AR-E08900-01	Etoposide EP Impurity H

Catalog	Name
RM-E151603-01	Etoposide EP Impurity C (α-Etoposide)
RM-E151602-01	Etoposide EP Impurity B (Cis-Etoposide)
RM-E151632-01	Etoposide Impurity 32
RM-E151633-01	Etoposide Impurity 33
RM-E151635-01	Etoposide Impurity 35
RM-E151634-01	Etoposide Impurity 34
RM-E151620-01	Etoposide Impurity 20
RM-E151637-01	Etoposide Impurity 37
HY-136669-01	Etoposide impurity 1
RM-E151601-01	Etoposide EP Impurity A