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Haenamindole

CAT: 0013-GTR19277980-04Size: 4 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277980-04Size:4 mg
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Description
Haenamindole is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
1818844-73-3
Smiles
[H][C@@]12N[C@@H] (CC (=O) N1C1=CC=CC=C1[C@]2 (O) C[C@@H]1N (O) C (=O) [C@H] (CC2=CC=CC=C2) NC1=O) C1=CC=CC=C1
Molecular Formula
C29H28N4O5
Molecular Weight
512.57
Notes
For research use only.

Chemical Information

(3S,6S)-6-[[(2S,10R,10aR)-10-hydroxy-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl]methyl]-3-benzyl-1-hydroxypiperazine-2,5-dione
CAS Number1818844-73-3
PubChem CID132536905
IUPAC Name(3S,6S)-6-[[(2S,10R,10aR)-10-hydroxy-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl]methyl]-3-benzyl-1-hydroxypiperazine-2,5-dione
Molecular FormulaC29H28N4O5
Molecular Weight512.6
XLogP1.5
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count38
Formal Charge0
Complexity919
SMILES
C1[C@H](N[C@H]2[C@](C3=CC=CC=C3N2C1=O)(C[C@H]4C(=O)N[C@H](C(=O)N4O)CC5=CC=CC=C5)O)C6=CC=CC=C6
InChI
InChI=1S/C29H28N4O5/c34-25-16-21(19-11-5-2-6-12-19)31-28-29(37,20-13-7-8-14-23(20)32(25)28)17-24-26(35)30-22(27(36)33(24)38)15-18-9-3-1-4-10-18/h1-14,21-22,24,28,31,37-38H,15-17H2,(H,30,35)/t21-,22-,24-,28+,29+/m0/s1
InChIKey
IAICBPZDIBCDOH-PYMLRLBYSA-N
Chemical Structure
2D Structure
2D structure of (3S,6S)-6-[[(2S,10R,10aR)-10-hydroxy-4-oxo-2-phenyl-1,2,3,10a-tetrahydropyrimido[1,2-a]indol-10-yl]methyl]-3-benzyl-1-hydroxypiperazine-2,5-dione
CAS: 1818844-73-3
CID: 132536905
Formula: C29H28N4O5
MW: 512.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight512.6
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass512.20597001
Monoisotopic Mass512.20597001
Topological Polar Surface Area122 Ų
Heavy Atom Count38
Formal Charge0
Complexity919
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N16419Haenamindole

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