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Otaplimastat HCl

CAT: 0127-BUP23736-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23736-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1176758-02-3
Synonyms
SP8203 HCl, Otaplimastat HCl (1176758-04-5 Free base), SP 8203 HCl
Purity
≥98%
Smiles
Cl.O=C1NC=2C=CC=CC2C (=O) N1CCCNCCCCN (C (=O) C) CCCN3C (=O) NC=4C=CC=CC4C3=O

Chemical Information

N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide;hydrochloride
CAS Number1176758-02-3
PubChem CID142700135
IUPAC NameN-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide;hydrochloride
Molecular FormulaC28H35ClN6O5
Molecular Weight571.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity913
SMILES
CC(=O)N(CCCCNCCCN1C(=O)C2=CC=CC=C2NC1=O)CCCN3C(=O)C4=CC=CC=C4NC3=O.Cl
InChI
InChI=1S/C28H34N6O5.ClH/c1-20(35)32(17-9-19-34-26(37)22-11-3-5-13-24(22)31-28(34)39)16-7-6-14-29-15-8-18-33-25(36)21-10-2-4-12-23(21)30-27(33)38;/h2-5,10-13,29H,6-9,14-19H2,1H3,(H,30,38)(H,31,39);1H
InChIKey
UMOYTHLNRMOFEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide;hydrochloride
CAS: 1176758-02-3
CID: 142700135
Formula: C28H35ClN6O5
MW: 571.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass570.2357459
Monoisotopic Mass570.2357459
Topological Polar Surface Area131 Ų
Heavy Atom Count40
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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