Prajna Generics

CAS 1887197-42-3

Chemistry, 2 End Use API, 50 Related Intermediates

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Also known as: 1887197-42-3, Oxalic acid;n-[[(2s,3s)-2-phenylmethoxypentan-3-yl]amino]formamide, N'-((2s,3s)-2-(benzyloxy)pentan-3-yl)formohydrazideoxalate, Mfcd29044917, Akos025404750, Ds-8735

Molecular Formula

C₁₅H₂₂N₂O₆

Molecular Weight

326.34 g/mol

InChI Key

NHBNQZOZYCCDJW-JZKFLRDJSA-N

1 2D Structure

CAS 1887197-42-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

oxalic acid;N-[[(2S,3S)-2-phenylmethoxypentan-3-yl]amino]formamide

2.1.2 InChI

InChI=1S/C13H20N2O2.C2H2O4/c1-3-13(15-14-10-16)11(2)17-9-12-7-5-4-6-8-12;3-1(4)2(5)6/h4-8,10-11,13,15H,3,9H2,1-2H3,(H,14,16);(H,3,4)(H,5,6)/t11-,13-;/m0./s1

2.1.3 InChI Key

NHBNQZOZYCCDJW-JZKFLRDJSA-N

2.1.4 Canonical SMILES

CCC(C(C)OCC1=CC=CC=C1)NNC=O.C(=O)(C(=O)O)O

2.1.5 Isomeric SMILES

CC[C@@H]([C@H](C)OCC1=CC=CC=C1)NNC=O.C(=O)(C(=O)O)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1887197-42-3

2. Oxalic Acid;n-[[(2s,3s)-2-phenylmethoxypentan-3-yl]amino]formamide

3. N'-((2s,3s)-2-(benzyloxy)pentan-3-yl)formohydrazideoxalate

4. Mfcd29044917

5. Akos025404750

6. Ds-8735

7. C73615

8. A912519

2.3 Create Date

2015-11-10

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₂₂N₂O₆
Molecular Weight	326.34 g/mol
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	326.14778643 g/mol
Monoisotopic Mass	326.14778643 g/mol
Topological Polar Surface Area	125 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	277
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

184177-83-1

End Use API

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and ...

Prajna is an innovation driven pharmaceutical company. We dedicated to Research, Process development and Manufacturing APIs and Advanced Intermediates for Active Pharmaceutical Ingredients (APIs) for the global pharmaceutical companies. It provides value-added services in Contract Research, Custom Synthesis, and Specialties Scientific technology (Green Process, APIs Process Development, Polymorphism, Crystallisation and Purification) for Pharmaceutical and Life Sciences industry.

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