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Ciraparantag

CAT: 0926-NHC49226-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-NHC49226-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1438492-26-2
Smiles
C1CN (CCN1CCCNC (=O) C (CCCN=C (N) N) N) CCCNC (=O) C (CCCN=C (N) N) N
Molecular Formula
C22H48N12O2
Molecular Weight
512.7 g/mol
Controlled
No

Chemical Information

Ciraparantag

Ciraparantag is a N-alkylpiperazine.

CAS Number1438492-26-2
PubChem CID71576543
IUPAC Name(2S)-2-amino-N-[3-[4-[3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]propyl]piperazin-1-yl]propyl]-5-(diaminomethylideneamino)pentanamide
Molecular FormulaC22H48N12O2
Molecular Weight512.7
XLogP-4
Topological Polar Surface Area246
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Heavy Atom Count36
Formal Charge0
Complexity629
SMILES
C1CN(CCN1CCCNC(=O)[C@H](CCCN=C(N)N)N)CCCNC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C22H48N12O2/c23-17(5-1-7-31-21(25)26)19(35)29-9-3-11-33-13-15-34(16-14-33)12-4-10-30-20(36)18(24)6-2-8-32-22(27)28/h17-18H,1-16,23-24H2,(H,29,35)(H,30,36)(H4,25,26,31)(H4,27,28,32)/t17-,18-/m0/s1
InChIKey
HRDUUSCYRPOMSO-ROUUACIJSA-N
Chemical Structure
2D Structure
2D structure of Ciraparantag
CAS: 1438492-26-2
CID: 71576543
Formula: C22H48N12O2
MW: 512.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.7
XLogP3-4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count18
Exact Mass512.40231882
Monoisotopic Mass512.40231882
Topological Polar Surface Area246 Ų
Heavy Atom Count36
Formal Charge0
Complexity629
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA7701-50Ciraparantag
T10820L-01Ciraparantag TFA
BUP05793-01Ciraparantag acetate
HY-18660B-01Ciraparantag (acetate)
HY-18660ACiraparantag (TFA)
HY-18660SCiraparantag-d8 (tetra (hydrochloride) diacetate)

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