Products for Research Use Only
RegisterLogin

Promethazine N-b-D-glucuronide

CAT: 0926-MP16839-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-MP16839-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
137908-81-7
Synonyms
N-b-D-Glucopyranuronosyl-N, N, a-trimethyl-10H-phenothiazine-10-ethanaminium inner salt; Promethazine N-glucuronide
Smiles
CC (CN1C2=CC=CC=C2SC3=CC=CC=C31) [N+] (C) (C) [C@H]4[C@@H] ([C@H] ([C@@H] ([C@H] (O4) C (=O) [O-]) O) O) O
Molecular Formula
C23H28N2O6S
Molecular Weight
460.54 g/mol
Controlled
No

Chemical Information

Promethazine N-|A-D-Glucuronide
CAS Number137908-81-7
PubChem CID71751807
IUPAC Name(2S,3S,4S,5R,6R)-6-[dimethyl(1-phenothiazin-10-ylpropan-2-yl)azaniumyl]-3,4,5-trihydroxyoxane-2-carboxylate
Molecular FormulaC23H28N2O6S
Molecular Weight460.5
XLogP3
Topological Polar Surface Area139
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity653
SMILES
CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)[N+](C)(C)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O)O)O
InChI
InChI=1S/C23H28N2O6S/c1-13(25(2,3)22-20(28)18(26)19(27)21(31-22)23(29)30)12-24-14-8-4-6-10-16(14)32-17-11-7-5-9-15(17)24/h4-11,13,18-22,26-28H,12H2,1-3H3/t13?,18-,19-,20+,21-,22+/m0/s1
InChIKey
ABNKYMDJQOWLOF-JGSZSWCSSA-N
Chemical Structure
2D Structure
2D structure of Promethazine N-|A-D-Glucuronide
CAS: 137908-81-7
CID: 71751807
Formula: C23H28N2O6S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass460.16680779
Monoisotopic Mass460.16680779
Topological Polar Surface Area139 Ų
Heavy Atom Count32
Formal Charge0
Complexity653
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
MP16842-01Propylthiouracil N-b-D-glucuronide
MA163654-01Amitriptilyne N-b-D-glucuronide
MA29580Asenapine N-b-D-glucuronide
MM45204-01Memantine N-b-D-glucuronide
MI16758-01Imipramine N-b-D-glucuronide
MI09885-01Irbesartan N-b-D-glucuronide
IH59729N-Hydroxy riluzole N-b-D-glucuronide
MF16727-015-Fluorouracil N-b-D-glucuronide
MN10397-01Nicotine-N-b-D-glucuronide-D3
MN09846-01Nicotine-N-b-D-glucuronide hydrate

Alternative Products

CatalogName
294489-01Promethazine N-b-D-glucuronide
020021Promethazine N-β-D-Glucuronide
MBS6109077-01Promethazine N-beta-D-Glucuronide
AR-P03009-01Promethazine-N-Glucuronide (Mixture of Diastereomers)
287054Promethazine N-oxide
AR-P32774-01Promethazine EP Impurity D-d6 (Promethazine Sulfoxide-d6)
RM-P132604-01Promethazine EP Impurity D
AR-P07930-01Promethazine EP Impurity B
CS-EO-02605N-Nitroso Promethazine Impurity
RG-A263247-01N-Nitroso-Desmethyl-Promethazine

Popular Products