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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

2 API Suppliers, 2 USDMF, 1 NDC API

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Synopsis

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Chemistry

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Also known as:

Molecular Formula

C₁₄H₂₈AlN₇O₁₄Zr-₃

Molecular Weight

636.62 g/mol

InChI Key

PRUFTUXJZHUQFT-UHFFFAOYSA-G

1 2D Structure

Aluminum Zirconium Glycinate

2 Identification

2.1 Computed Descriptors

2.1.1 InChI

InChI=1S/7C2H5NO2.Al.Zr/c7*3-1-2(4)5;;/h7*1,3H2,(H,4,5);;/q;;;;;;;;+4/p-7

2.1.2 InChI Key

PRUFTUXJZHUQFT-UHFFFAOYSA-G

2.1.3 Canonical SMILES

C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.C(C(=O)[O-])N.[Al].[Zr+4]

2.2 Create Date

2012-07-12

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₂₈AlN₇O₁₄Zr-₃
Molecular Weight	636.62 g/mol
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	0
Exact Mass	635.055661 g/mol
Monoisotopic Mass	635.055661 g/mol
Topological Polar Surface Area	463 Å²
Heavy Atom Count	37
Formal Charge	-3
Complexity	37.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	9