Products for Research Use Only
RegisterLogin

Beloranib Hemioxalate

CAT: 0572-TRC-B131285-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-B131285-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
529511-79-3
Synonyms
Beloranib Hemioxalate
Hazard Statement
No Data Available
Smiles
CO[C@@H]1[C@@H](CC[C@]2(CO2)[C@H]1[C@@]3(C)O[C@@H]3CC=C(C)C)OC(=O)\C=C\c4ccc(OCCN(C)C)cc4.CO[C@@H]5[C@@H](CC[C@]6(CO6)[C@H]5[C@@]7(C)O[C@@H]7CC=C(C)C)OC(=O)\C=C\c8ccc(OCCN(C)C)cc8.OC(=O)C(=O)O
Molecular Formula
2 C29 H41 N O6 . C2 H2 O4
Molecular Weight
1089.313
InChI
InChI=1S/2C29H41NO6.C2H2O4/c2*1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5;3-1(4)2(5)6/h2*7-12,14,23-24,26-27H,13,15-19H2,1-6H3;(H,3,4)(H,5,6)/b2*14-10+;/t2*23-,24-,26-,27-,28+,29+;/m11./s1
Additionnal Information
IUPAC name: [(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate;oxalic acid
Shipping Conditions
Room Temperature

Chemical Information

Beloranib hemioxalate
CAS Number529511-79-3
PubChem CID25144864
IUPAC Namebis([(3R,4S,5S,6R)-5-methoxy-4-[(2R,3R)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]-1-oxaspiro[2.5]octan-6-yl] (E)-3-[4-[2-(dimethylamino)ethoxy]phenyl]prop-2-enoate);oxalic acid
Molecular FormulaC60H84N2O16
Molecular Weight1089.3
Topological Polar Surface Area221
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count25
Heavy Atom Count78
Formal Charge0
Complexity886
SMILES
CC(=CC[C@H]1O[C@@]1([C@@H]2[C@]3(OC3)CC[C@H]([C@H]2OC)OC(=O)/C=C/C4=CC=C(C=C4)OCCN(C)C)C)C.CC(=CC[C@H]1O[C@@]1([C@@H]2[C@]3(OC3)CC[C@H]([C@H]2OC)OC(=O)/C=C/C4=CC=C(C=C4)OCCN(C)C)C)C.C(=O)(O)C(=O)O
InChI
InChI=1S/2C29H41NO6.C2H2O4/c2*1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5;3-1(4)2(5)6/h2*7-12,14,23-24,26-27H,13,15-19H2,1-6H3;(H,3,4)(H,5,6)/b2*14-10+;/t2*23-,24-,26-,27-,28+,29+;/m11./s1
InChIKey
ZKEMUPZLDSXZCX-CEVDDVLHSA-N
Chemical Structure
2D Structure
2D structure of Beloranib hemioxalate
CAS: 529511-79-3
CID: 25144864
Formula: C60H84N2O16
MW: 1089.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1089.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count18
Rotatable Bond Count25
Exact Mass1088.58208460
Monoisotopic Mass1088.58208460
Topological Polar Surface Area221 Ų
Heavy Atom Count78
Formal Charge0
Complexity886
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-B131280-10MGBeloranib
TRC-B131280-1MGBeloranib
TRC-B131280-0.25MGBeloranib
TRC-B131282-5MGBeloranib-d6
TRC-R700860-2.5MGRoxatidine Hemioxalate
TRC-R700860-25MGRoxatidine Hemioxalate
TRC-R700862-25MGRoxatidine-d10 Hemioxalate
T528055Todralazine hemioxalate salt
TRC-O752185-100MG2-Oxa-7-azaspiro[3.5]nonane Hemioxalate
TRC-O752185-10MG2-Oxa-7-azaspiro[3.5]nonane Hemioxalate

Alternative Products

CatalogName
HY-14811ABeloranib (hemioxalate)
T89217-01Beloranib hemioxalate
MBS3840086-01Beloranib
A13870-5Beloranib 5mg
A13870-10Beloranib 10mg
442212-01Beloranib discontinued
T12738Rivanicline hemioxalate
MBS6083667-01Roxatidine Hemioxalate
HY-108514(±) -PPCC (hemioxalate)
B3250-50RJR-2403 hemioxalate

Popular Products