Products for Research Use Only
RegisterLogin

Dihydro Omadacycline Impurity

CAT: 1596-AR-O09036-01Size: 10 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-O09036-01Size:10 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2272886-40-3
Synonyms
(4S,4aS,5aR,12aS) -4,7-Bis (dimethylamino) -3,10,12,12a-tetrahydroxy-9- ((neopentylamino) methyl) -1,11-dioxo-1,4,4a,5,5a,6,11,11a,12,12a-decahydrotetracene-2-carboxamide
Molecular Formula
C29H42N4O7
Molecular Weight
558.68
API Name
Omadacycline

Chemical Information

Omacycline M+2 impurity
CAS Number2272886-40-3
PubChem CID175675505
IUPAC Name(4S,4aS,5aR,12aS)-4,7-bis(dimethylamino)-9-[(2,2-dimethylpropylamino)methyl]-1,10,12,12a-tetrahydroxy-3,11-dioxo-4a,5,5a,6,11a,12-hexahydro-4H-tetracene-2-carboxamide
Molecular FormulaC29H42N4O7
Molecular Weight558.7
XLogP1.9
Topological Polar Surface Area177
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity1070
SMILES
CC(C)(C)CNCC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(C3C(=O)C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C
InChI
InChI=1S/C29H42N4O7/c1-28(2,3)12-31-11-14-10-17(32(4)5)15-8-13-9-16-21(33(6)7)24(36)20(27(30)39)26(38)29(16,40)25(37)18(13)23(35)19(15)22(14)34/h10,13,16,18,21,25,31,34,37-38,40H,8-9,11-12H2,1-7H3,(H2,30,39)/t13-,16-,18?,21-,25?,29-/m0/s1
InChIKey
LNORBSRCWCYZBW-NQBVDXGXSA-N
Chemical Structure
2D Structure
2D structure of Omacycline M+2 impurity
CAS: 2272886-40-3
CID: 175675505
Formula: C29H42N4O7
MW: 558.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.7
XLogP31.9
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass558.30534969
Monoisotopic Mass558.30534969
Topological Polar Surface Area177 Ų
Heavy Atom Count40
Formal Charge0
Complexity1070
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-O09040-01Omadacycline carboxamide impurity
AR-O09041-012-Desamido Omadacycline Impurity
AR-O09038-0112-Amino Omadacycline impurity
AR-O09039-01Omadacycline Open Ring Impurity (racemic)
AR-O09033-01Omadacycline 5,6-Dehydro Impurity
AR-P29908-01Pioglitazone Dihydro Impurity
AR-L07707-01Desloratadine Dihydro Impurity
AR-L01067-01Lafutidine Dihydro Impurity
AR-Z01016-01Zaltoprofen Dihydro Impurity
AR-M02237-01Montelukast Dihydro Impurity

Alternative Products

CatalogName
RM-O542014-01Omadacycline Impurity 14
RM-O542002-01Omadacycline Impurity 2
RM-O542012-01Omadacycline Impurity 12
RM-O542016-01Omadacycline Impurity 16
RM-O542022-01Omadacycline Impurity 22
RM-O542020-01Omadacycline Impurity 20
RM-O542004-01Omadacycline Impurity 4
RM-O542024-01Omadacycline Impurity 24
RM-O542011-01Omadacycline Impurity 11
RM-O542001-01Omadacycline Impurity 1

Popular Products