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DMPAC-Chol

CAT: 0013-GTR19190554-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190554-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMPAC-Chol
CAS Number
184582-91-0
Field of Research
Metabolism Research
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CCCC (C) C) C) (CC4) [H]) [H]) (CC=C1C[C@@H] (OC (NCCCN (C) C) =O) CC2) [H]) [H]
Molecular Formula
C33H58N2O2
Molecular Weight
514.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

DMPAC-Chol
CAS Number184582-91-0
PubChem CID12021232
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] N-[3-(dimethylamino)propyl]carbamate
Molecular FormulaC33H58N2O2
Molecular Weight514.8
XLogP9.3
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count37
Formal Charge0
Complexity806
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)NCCCN(C)C)C)C
InChI
InChI=1S/C33H58N2O2/c1-23(2)10-8-11-24(3)28-14-15-29-27-13-12-25-22-26(37-31(36)34-20-9-21-35(6)7)16-18-32(25,4)30(27)17-19-33(28,29)5/h12,23-24,26-30H,8-11,13-22H2,1-7H3,(H,34,36)/t24-,26+,27+,28-,29+,30+,32+,33-/m1/s1
InChIKey
KXWSSROBKRIZBR-FLFWOSPYSA-N
Chemical Structure
2D Structure
2D structure of DMPAC-Chol
CAS: 184582-91-0
CID: 12021232
Formula: C33H58N2O2
MW: 514.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight514.8
XLogP39.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass514.44982910
Monoisotopic Mass514.44982910
Topological Polar Surface Area41.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity806
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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