Products for Research Use Only
RegisterLogin

CD-3400

CAT: 0013-GTR19195192Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19195192Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CD 3400 is a stereoisomer of the antihypertensive agent Rescimetol. This small molecule is utilized in pharmacological research, particularly in studies investigating blood pressure regulation and cardiovascular function in both in vitro and in vivo experimental models.
CAS Number
35440-49-4
Smiles
[H][C@]12C[C@@H] (OC (=O) C=Cc3ccc (O) c (OC) c3) [C@H] (OC) [C@@H] (C (=O) OC) [C@@]1 ([H]) C[C@@]1 ([H]) N (CCc3c1[nH]c1cc (OC) ccc31) C2
Molecular Formula
C33H38N2O8
Molecular Weight
590.66
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-11,17-dimethoxyyohimban-16-carboxylate

Rescimetol is an organic molecular entity.

CAS Number35440-49-4
PubChem CID5282209
IUPAC Namemethyl (1R,15S,17R,18R,19S,20S)-17-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-6,18-dimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
Molecular FormulaC33H38N2O8
Molecular Weight590.7
XLogP4.2
Topological Polar Surface Area120
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity1020
SMILES
CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC
InChI
InChI=1S/C33H38N2O8/c1-39-20-7-8-21-22-11-12-35-17-19-14-28(43-29(37)10-6-18-5-9-26(36)27(13-18)40-2)32(41-3)30(33(38)42-4)23(19)16-25(35)31(22)34-24(21)15-20/h5-10,13,15,19,23,25,28,30,32,34,36H,11-12,14,16-17H2,1-4H3/b10-6+/t19-,23+,25-,28-,30+,32+/m1/s1
InChIKey
MMUMZMIKZXSFSD-ADSVITMPSA-N
Chemical Structure
2D Structure
2D structure of Methyl (3beta,16beta,17alpha,18beta,20alpha)-18-(((2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl)oxy)-11,17-dimethoxyyohimban-16-carboxylate
CAS: 35440-49-4
CID: 5282209
Formula: C33H38N2O8
MW: 590.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.7
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass590.26281617
Monoisotopic Mass590.26281617
Topological Polar Surface Area120 Ų
Heavy Atom Count43
Formal Charge0
Complexity1020
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19201651-01CD 1530
GTR19242250-01CD-2394
GTR19174172-01SBE-β-CD
GTR17975923CD Antibody
GTR19202808Mal-β-CD
GTR19263328-01CD-10
GTR19217250-01SBE-β-CD
GTR19197938-01CD-349
GTR17975925CD Antibody
GTR19248058-01DM-β-CD

Alternative Products

CatalogName
T30782CD-3400
241300-01Polythylene Glycol 3400 (PEG 3400)
EBS-CD-115CD Markers CD 8
CRIS-1CD Markers CD 5
Bra11GCD Markers CD 45RB
EBS-CD-027CD Markers CD 45R0
111-3E9CD Markers CD 43a
EBS-CD-024CD Markers CD 36
EBS-CD-003CD Markers CD 2
EBS-CD-012CD Markers CD 13

Popular Products