Asenapine Phenol - CAS 1688731-74-9
Catalog: |
BB070294 |
Product Name: |
Asenapine Phenol |
CAS: |
1688731-74-9 |
Synonyms: |
4-Chloro-2-((3S,4R)-1-methyl-4-phenylpyrrolidin-3-yl)phenol;rel-4-Chloro-2-[(3R,4R)-1-methyl-4-phenyl-3-pyrrolidinyl]-phenol |
IUPAC Name: | 4-chloro-2-[(3S,4S)-1-methyl-4-phenylpyrrolidin-3-yl]phenol |
Description: | Asenapine Phenol is a research reagent used to study effect on DNA oxidation |
Molecular Weight: | 287.78 |
Molecular Formula: | C17H18ClNO |
Canonical SMILES: | CN1CC(C(C1)C2=C(C=CC(=C2)Cl)O)C3=CC=CC=C3 |
InChI: | InChI=1S/C17H18ClNO/c1-19-10-15(12-5-3-2-4-6-12)16(11-19)14-9-13(18)7-8-17(14)20/h2-9,15-16,20H,10-11H2,1H3/t15-,16-/m1/s1 |
InChI Key: | KGBQFNHXVTXWQB-HZPDHXFCSA-N |
References: | Bao, L.L., et al. ChemMedChem, 11, 1617 (2016). |
Complexity: | 318 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 287.1076919 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 287.1076919 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 23.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
-
[6332-13-4]C9H13NO
4-Aminophenyl Ethyl Carbinol
-
[6872-53-3]C7H11NO2
Norscopine
-
[868161-59-5]C15H19NO
(E,E)-5-[4-(Diethylamino)phenyl]penta-2,4-dienal
-
C18H29N5O2
(3R,4R)-tert-Butyl 3-((6,7-Dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)(methyl)amino)-4-methylpiperidine-1-carboxylate
-
[24177-07-9]C17H26N2O6
(2R,5S,10aS,10bS)-Octahydro-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid
-
C14H20N2O6
(2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS