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CAS 1335210-34-8 manufacturers and suppliers on PharmaCompass

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CAS 1335210-34-8
Also known as: 1335210-34-8, (4r,12as)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic acid, Mfcd28978321, Schembl15084338, Amy30024, Zinc150055997
Molecular Formula
C14H16N2O6
Molecular Weight
308.29  g/mol
InChI Key
KGWJKKUSXSBPSK-APPZFPTMSA-N

1 2D Structure

CAS 1335210-34-8

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(3S,7R)-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxylic acid
2.1.2 InChI
InChI=1S/C14H16N2O6/c1-7-3-4-22-9-6-15-5-8(14(19)20)11(17)12(21-2)10(15)13(18)16(7)9/h5,7,9H,3-4,6H2,1-2H3,(H,19,20)/t7-,9+/m1/s1
2.1.3 InChI Key
KGWJKKUSXSBPSK-APPZFPTMSA-N
2.1.4 Canonical SMILES
CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)OC
2.1.5 Isomeric SMILES
C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1335210-34-8

2. (4r,12as)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic Acid

3. Mfcd28978321

4. Schembl15084338

5. Amy30024

6. Zinc150055997

7. Ac-30856

8. F11521

9. (4r,12as)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]-oxazine-9-carboxylic Acid

10. (4r,12as)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylicacid

11. (4r,12as)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2h-pyrido[1',2';4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxylic Acid

2.3 Create Date
2015-02-13
3 Chemical and Physical Properties
Molecular Weight 308.29 g/mol
Molecular Formula C14H16N2O6
XLogP30.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass308.10083623 g/mol
Monoisotopic Mass308.10083623 g/mol
Topological Polar Surface Area96.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity623
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredient...
Almelo are the industry leaders in manufacturing advanced intermediates, Active Pharmaceutical Ingredients (APIs) and specialty fine chemicals. With a diverse product portfolio coupled with innovative R&D, Almelo boasts of having various reputed domestic and multi-national companies as its customers.
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Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manuf...
Established in August 2011, Raffles PharmaTech is a high-tech enterprise that focus on development, manufacturing and sales of high-value added active pharmaceutical ingredients and intermediates. We are specialized in applying organic catalysts into the process development to lower cost, and to provide cost-effective product and service to customers. With our strong R&D capability and our proprietary organic catalysts, we provide low cost and high quality active pharmaceutical ingredients and intermediates to pharmaceutical companies. We also provide world standard process development, custom synthesis and manufacturing service.
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Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leader...
Shenzhen HwaGen Pharmaceutical Co., Ltd. (HwaGen Pharma) was founded in December of 2015 under the leadership of a “National 1000 Talents Program” expert. By leveraging its core competency in chiral synthesis, enzymatic catalysis and continuous flow micro reactor, HwaGen Pharmaceutical is dedicated to development and manufacturing of specialty and niche intermediates and APIs covering various therapeutic areas including oncology, antiviral and respiratory, delivering high value-added and affordable products for global pharmaceutical industry. Equipments for Analysis & Test include Tabletop NMR, LC-MS, GC, HPLC etc.
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