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DPM-1001

CAT: 0013-GTR19203405-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203405-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DPM-1001
CAS Number
1471172-27-6
Field of Research
Metabolism Research
Smiles
[H][C@@]1 (CC[C@@]2 ([H]) [C@]3 ([H]) [C@H] (O) C[C@@]4 ([H]) C[C@@H] (CC[C@]4 (C) [C@@]3 ([H]) CC[C@]12C) NCCCCNCc1ccccn1) [C@H] (C) CCC (=O) OC
Molecular Formula
C35H57N3O3
Molecular Weight
567.85
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS Number1471172-27-6
PubChem CID139291002
IUPAC Namemethyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Molecular FormulaC35H57N3O3
Molecular Weight567.8
XLogP6.2
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count41
Formal Charge0
Complexity855
SMILES
C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)NCCCCNCC5=CC=CC=N5)C)O)C
InChI
InChI=1S/C35H57N3O3/c1-24(10-13-32(40)41-4)28-11-12-29-33-30(15-17-35(28,29)3)34(2)16-14-26(21-25(34)22-31(33)39)37-20-8-7-18-36-23-27-9-5-6-19-38-27/h5-6,9,19,24-26,28-31,33,36-37,39H,7-8,10-18,20-23H2,1-4H3/t24-,25-,26-,28-,29+,30+,31-,33+,34+,35-/m1/s1
InChIKey
RVANDQULNPITCN-MCVYBXALSA-N
Chemical Structure
2D Structure
2D structure of methyl (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-[4-(pyridin-2-ylmethylamino)butylamino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS: 1471172-27-6
CID: 139291002
Formula: C35H57N3O3
MW: 567.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.8
XLogP36.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass567.43999269
Monoisotopic Mass567.43999269
Topological Polar Surface Area83.5 Ų
Heavy Atom Count41
Formal Charge0
Complexity855
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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