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Undecylprodigiosin hydrochloride

CAT: 0926-GCA24702-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-GCA24702-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56247-02-0
Smiles
CCCCCCCCCCCC1=NC (=CC2=C (C=C (N2) C3=CC=CN3) OC) C=C1.Cl
Molecular Formula
C25H36ClN3O
Molecular Weight
430 g/mol
Controlled
No

Chemical Information

Undecylprodigiosin hydrochloride

(2Z,5Z)-3-methoxy-5-pyrrol-2-ylidene-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole has been reported in Streptomyces, Streptomyces avermitilis, and other organisms with data available.

CAS Number56247-02-0
PubChem CID135783385
IUPAC Name(2Z)-3-methoxy-5-(1H-pyrrol-2-yl)-2-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole;hydrochloride
Molecular FormulaC25H36ClN3O
Molecular Weight430.0
Topological Polar Surface Area53.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count30
Formal Charge0
Complexity581
SMILES
CCCCCCCCCCCC1=CC=C(N1)/C=C\2/C(=CC(=N2)C3=CC=CN3)OC.Cl
InChI
InChI=1S/C25H35N3O.ClH/c1-3-4-5-6-7-8-9-10-11-13-20-15-16-21(27-20)18-24-25(29-2)19-23(28-24)22-14-12-17-26-22;/h12,14-19,26-27H,3-11,13H2,1-2H3;1H/b24-18-;
InChIKey
ZZRPZWXEPLULCE-XWASNXTISA-N
Chemical Structure
2D Structure
2D structure of Undecylprodigiosin hydrochloride
CAS: 56247-02-0
CID: 135783385
Formula: C25H36ClN3O
MW: 430.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass429.2546905
Monoisotopic Mass429.2546905
Topological Polar Surface Area53.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity581
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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