CS-0532128

1,1'-Methylenebis(3,7-dimethyl-1H-purine-2,6(3H,7H)-dione) Pentoxifylline Impurity

Manufacturer: ChemScene

CAS Number: 77196-87-3

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Purity

98%

MDL No

None

Storage

Store at room temperature

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₁₅H₁₆N₈O₄

Molecular Weight

372.34

Synonyms

1,1'-Methylene Bis[Theobromine]

SMILES

O=C1C2=C(N(C)C(N1CN3C(C4=C(N(C)C3=O)N=CN4C)=O)=O)N=CN2C

Tpsa

123.64

Logp

-2.3134

H Acceptors

12

H Donors

0

Rotatable Bonds

2

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SAFETY INFORMATION

ghsPictogramUrl

https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg

Pictograms

GHS07

Signal Word

Warning

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

H302-H315-H319-H335

Precautionary Statements

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Img

ChemScene

CS-0532128

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Purity:
98%

MDL No:
None

Storage:
Store at room temperature

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₅H₁₆N₈O₄

Molecular Weight:
372.34

Synonyms:
1,1'-Methylene Bis[Theobromine]

SMILES:
O=C1C2=C(N(C)C(N1CN3C(C4=C(N(C)C3=O)N=CN4C)=O)=O)N=CN2C

Tpsa:
123.64

Logp:
-2.3134

H Acceptors:
12

H Donors:
0

Rotatable Bonds:
2

Img

ChemScene

CS-0532129

--


Purity:
98%

MDL No:
MFCD02260860

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₀H₁₀O₃

Molecular Weight:
178.18

Synonyms:
3-Propanoylbenzoic acid

SMILES:
O=C(C1=CC=CC(C(CC)=O)=C1)O

Tpsa:
54.37

Logp:
1.9775

H Acceptors:
2

H Donors:
1

Rotatable Bonds:
3

Img

ChemScene

CS-0532131

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₁₁H₁₄N₂

Molecular Weight:
174.24

Synonyms:
4-amino-2-tert-butylbenzonitrile

SMILES:
N#CC1=CC=C(C=C1C(C)(C)C)N

Tpsa:
49.81

Logp:
2.43798

H Acceptors:
2

H Donors:
1

Rotatable Bonds:
0

Img

ChemScene

CS-0532132

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

Shipping:
Room temperature in continental US; may vary elsewhere.

Molecular Formula:
C₈H₈O₄

Molecular Weight:
168.15

Synonyms:
None

SMILES:
O=C(C1=CC=C(C(CO)=C1)O)O

Tpsa:
77.76

Logp:
0.5827

H Acceptors:
3

H Donors:
3

Rotatable Bonds:
2