CS-0136742

Linagliptin acetamide

Manufacturer: ChemScene

CAS Number: 1803079-49-3

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Purity

98%

MDL No

None

Storage

Sealed in dry,2-8℃

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₂₇H₃₀N₈O₃

Molecular Weight

514.58

Synonyms

tert-butyl (R)-(1-(7-(but-2-yn-1-yl)-3-methyl-2-((4-methylquinazolin-2-yl)methoxy)-6-oxo-6,7-dihydro-3H-purin-8-yl)piperidin-3-yl)carbamate

SMILES

CC(N[C@H]1CN(C(N2CC#CC)=NC(N(C)C(N3CC4=NC(C)=C5C=CC=CC5=N4)=O)=C2C3=O)CCC1)=O

Tpsa

119.94

Logp

1.32482

H Acceptors

10

H Donors

1

Rotatable Bonds

5

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Img

ChemScene

CS-0136742

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Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₂₇H₃₀N₈O₃

Molecular Weight:
514.58

Synonyms:
tert-butyl (R)-(1-(7-(but-2-yn-1-yl)-3-methyl-2-((4-methylquinazolin-2-yl)methoxy)-6-oxo-6,7-dihydro-3H-purin-8-yl)piperidin-3-yl)carbamate

SMILES:
CC(N[C@H]1CN(C(N2CC#CC)=NC(N(C)C(N3CC4=NC(C)=C5C=CC=CC5=N4)=O)=C2C3=O)CCC1)=O

Tpsa:
119.94

Logp:
1.32482

H Acceptors:
10

H Donors:
1

Rotatable Bonds:
5

Img

ChemScene

CS-0136743

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Purity:
98%

MDL No:
MFCD01745788

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₁₅H₂₁NaO₅

Molecular Weight:
304.31

Synonyms:
None

SMILES:
O=C1C(CCC1)CC2=CC=C(C(C)C(O[Na])=O)C=C2.O.O

Tpsa:
106.37

Logp:
0.6791

H Acceptors:
3

H Donors:
0

Rotatable Bonds:
4

Img

ChemScene

CS-0136745

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Purity:
97%

MDL No:
MFCD27946662

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₉H₁₄O₇

Molecular Weight:
234.20

Synonyms:
None

SMILES:
C=CCOC([C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O)=O

Tpsa:
124.29

Logp:
-2.6419

H Acceptors:
7

H Donors:
4

Rotatable Bonds:
7

Img

ChemScene

CS-0136746

--


Purity:
98%

MDL No:
None

Storage:
Sealed in dry,2-8℃

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

Molecular Formula:
C₅H₈N₂O₅

Molecular Weight:
176.13

Synonyms:
None

SMILES:
O=C(O)C(N)C(ON1)=CC1=O.[H]O[H]

Tpsa:
140.82

Logp:
-1.7724

H Acceptors:
4

H Donors:
3

Rotatable Bonds:
2