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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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