Products for Research Use Only
RegisterLogin

1,2-Dihydro Prednicarbate

CAT: 0572-TRC-D446435-250MGSize: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D446435-250MGSize:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
671225-26-6
Synonyms
Pregn-4-ene-3,20-dione, 17-[(ethoxycarbonyl)oxy]-11-hydroxy-21-(1-oxopropoxy)-, (11β)- (9CI); Cortisol 17-(ethyl carbonate) 21-propionate; 1,2-Dihydroprednicarbate; 1,2-Dihydro prednicarbate
Hazard Statement
Causes skin irritation
Purity
>95% (HPLC)
Smiles
CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(=O)CC
Molecular Formula
C27 H38 O8
Molecular Weight
490.59
InChI
InChI=1S/C27H38O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h13,18-20,23,29H,5-12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1
Additionnal Information
IUPAC name: [2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1,2-Dihydro Prednicarbate
CAS Number671225-26-6
PubChem CID124637835
IUPAC Name[2-[(8S,9S,10R,11S,13S,14S,17R)-17-ethoxycarbonyloxy-11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate
Molecular FormulaC27H38O8
Molecular Weight490.6
XLogP4
Topological Polar Surface Area116
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count35
Formal Charge0
Complexity939
SMILES
CCC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)OC(=O)OCC
InChI
InChI=1S/C27H38O8/c1-5-22(31)34-15-21(30)27(35-24(32)33-6-2)12-10-19-18-8-7-16-13-17(28)9-11-25(16,3)23(18)20(29)14-26(19,27)4/h13,18-20,23,29H,5-12,14-15H2,1-4H3/t18-,19-,20-,23+,25-,26-,27-/m0/s1
InChIKey
BPAMAIXNRIHJGN-KAJVQRHHSA-N
Chemical Structure
2D Structure
2D structure of 1,2-Dihydro Prednicarbate
CAS: 671225-26-6
CID: 124637835
Formula: C27H38O8
MW: 490.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.6
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass490.25666817
Monoisotopic Mass490.25666817
Topological Polar Surface Area116 Ų
Heavy Atom Count35
Formal Charge0
Complexity939
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-P703700-250MGPrednicarbate
TRC-P703700-1GPrednicarbate
TRC-P703700-100MGPrednicarbate
TRC-P049830-500MGPrednicarbate-11-Propanoate
TRC-P059830-100MGPrednicarbate-11-Propanoate (99% purity)
TRC-D367055-100MG1,2-Dihydro-deflazacort
TRC-D367055-10MG1,2-Dihydro-deflazacort
TRC-D449010-25MG1,2-Dihydro Dexamethasone
TRC-D449010-50MG1,2-Dihydro Dexamethasone
TRC-D448875-5MG1,2-Dihydro Desoxymetasone

Alternative Products

CatalogName
WBB22526-011,2-Dihydro prednicarbate
AR-P32402-01Prednicarbate Impurity 1
T21443-01Prednicarbate
HY-B1365RPrednicarbate (Standard)
sc-477051Prednicarbate-d3
FP179099-01Prednicarbate, USP
FP172966-01Prednicarbate - EP
AR-P02607-01Prednicarbate Related Compound A
AR-P02610-01Prednicarbate EP Impurity E
RM-P181004-01Prednicarbate EP Impurity D

Popular Products