Suanfarma Suanfarma

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CAS 668273-75-4 manufacturers and suppliers on PharmaCompass

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CAS 668273-75-4
Also known as: 668273-75-4, N3w7w93lxj, Carbamic acid, [(3r)-1-[7-(2-butynyl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinaz olinyl)methyl]-2,6-dioxo-1h-purin-8-yl]-3-piperidinyl]-, 1,1-dimethylethyl ester, Tert-butyl n-[(3r)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate, (r)-tert-butyl (1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)piperidin-3-yl)carbamate, Carbamic acid, n-((3r)-1-(7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-2,6-dioxo-1h-purin-8-yl)-3-piperidinyl)-, 1,1-dimethylethyl ester
Molecular Formula
C30H36N8O4
Molecular Weight
572.7  g/mol
InChI Key
PQEIZFATTRGTNW-HXUWFJFHSA-N
FDA UNII
N3W7W93LXJ

1 2D Structure

CAS 668273-75-4

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
tert-butyl N-[(3R)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate
2.1.2 InChI
InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m1/s1
2.1.3 InChI Key
PQEIZFATTRGTNW-HXUWFJFHSA-N
2.1.4 Canonical SMILES
CC#CCN1C2=C(N=C1N3CCCC(C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
2.1.5 Isomeric SMILES
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)OC(C)(C)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
2.2 Other Identifiers
2.2.1 UNII
N3W7W93LXJ
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 668273-75-4

2. N3w7w93lxj

3. Carbamic Acid, [(3r)-1-[7-(2-butynyl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinaz Olinyl)methyl]-2,6-dioxo-1h-purin-8-yl]-3-piperidinyl]-, 1,1-dimethylethyl Ester

4. Tert-butyl N-[(3r)-1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]carbamate

5. (r)-tert-butyl (1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1h-purin-8-yl)piperidin-3-yl)carbamate

6. Carbamic Acid, N-((3r)-1-(7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-((4-methyl-2-quinazolinyl)methyl)-2,6-dioxo-1h-purin-8-yl)-3-piperidinyl)-, 1,1-dimethylethyl Ester

7. Boc Linagliptin

8. Unii-n3w7w93lxj

9. Schembl639988

10. Dtxsid801099745

11. Zinc114294152

12. Ac-33288

13. 1,1-dimethylethyl N-[(3r)-1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1h-purin-8-yl]-3-piperidinyl]carbamate

14. 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(r)-tert-butoxycarbonylaminopiperidin-1-yl)xanthine

15. 1-[(4-methyl-quinazolin-2yl) Methyl]-3-methyl-7-(2-butyn-1-yl)-8-[(r)-3-(tert-butyloxycarbonylamino)-piperidin-1-yl]-xanthine

16. 1-[(4-methyl-quinazolin-2yl) Methyl]-3-methyl-7-(2-butyn-1-yl)-8-[(r)-3-(tert.-butyloxycarbonylamino)-piperidin-1-yl]-xanthine

2.4 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 572.7 g/mol
Molecular Formula C30H36N8O4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass572.28595166 g/mol
Monoisotopic Mass572.28595166 g/mol
Topological Polar Surface Area126 Ų
Heavy Atom Count42
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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668273-75-4
BOC-linagliptin
The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufactur...
The Bakul Group of companies headquartered in Mumbai, India are engaged in the development and manufacture of high-quality Active Pharmaceutical Ingredients (APIs), Intermediates, and Speciality Chemicals. Since our inception in 1975, we have grown to become world leaders in the area of xanthine chemistry. They specialize in manufacturing APIs such as Linagliptin, Pentoxifylline, Theobromine, Doxofylline, Caffeine, Pamabrom, and others.
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TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - ...
TEXLAB INDUSTRIES was established in 1971, manufacturing & trading related business. TEXLAB INDUSTRIES - company launched by Late Shree AMBALAL MISTRY for local and global region with the name of TEXLAB INDUSTRIES with various equipments for Textile Laboratory Testing Equipments in the field of textile testing services and also in textile laboratory processing in terms of manufacturing & trading in the day to day market. To begin with we started mfg. of textile testing equipments like Wrap Reel, Twist Tester, Lea Strength Tester, Yarn Appearance Board Winding Machine & Tensile Testers etc.
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Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter o...
Morepen Laboratories Ltd.’ is 31 years old company. Went to public in 1993. Manufacturer and Exporter of complex and high margins molecules (APIs/Intermediates) for regulated markets of USA, Europe, Russia, Canada and also for non-regulated markets. The first Morepen manufacturing plant was set up on the foothills of the Himalayas in the idyllic surroundings of Parwanoo. The large and spread-out facility is USDFA approved for manufacture of Loratadine, an anti-allergy drug- internationally known as Claritin.
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Linagliptin
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated g...
Srini Pharmaceuticals Pvt. Ltd., was established in 1995. USFDA, TGA and KFDA approved fully integrated global pharmaceutical company, located just about 60 KM's away from the Pharma Capital of India, Hyderabad. Our manufacturing facility has five fully equipped production blocks with most efficient functional utilities with multiple clean rooms having the ability to produce 10 API's at a time, supported by central quality control laborites with all sophisticated instruments by maintaining complete QMS.
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