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Clomifene-d5 (hydrochloride)

CAT: 0804-HY-A0287SSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-A0287SSize:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Clomifene-d5 (hydrochloride) is a deuterium labeled Clomifene. Clomifene is an orally active compound used for infertility. Clomifene is a simple, relatively safe, easily administered and well-tolerated efficacious compound to induce ovulation[1].
CAS Number
1346606-66-3
Product Name Alternative
Clomiphene-d5 (hydrochloride)
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.53
Solubility
10 mM in DMSO
Smiles
Cl/C(C1=C([2H])C([2H])=C([2H])C([2H])=C1[2H])=C(C2=CC=CC=C2)/C3=CC=C(OCCN(CC)CC)C=C3.Cl[H]
Molecular Formula
C26H24D5Cl2NO
Molecular Weight
447.45
References & Citations
[1]Wilkes S, et al. Ovulation induction with clomifene: a primary care perspective. J Fam Plann Reprod Health Care. 2012;38 (1) :48-52.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

trans-Clomiphene-d5 Hydrochloride
CAS Number1346606-66-3
PubChem CID71314886
IUPAC Name2-[4-[(E)-2-chloro-2-(2,3,4,5,6-pentadeuteriophenyl)-1-phenylethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride
Molecular FormulaC26H29Cl2NO
Molecular Weight447.4
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity481
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)OCCN(CC)CC)/Cl)[2H])[2H].Cl
InChI
InChI=1S/C26H28ClNO.ClH/c1-3-28(4-2)19-20-29-24-17-15-22(16-18-24)25(21-11-7-5-8-12-21)26(27)23-13-9-6-10-14-23;/h5-18H,3-4,19-20H2,1-2H3;1H/b26-25+;/i6D,9D,10D,13D,14D;
InChIKey
KKBZGZWPJGOGJF-FKBJCHEPSA-N
Chemical Structure
2D Structure
2D structure of trans-Clomiphene-d5 Hydrochloride
CAS: 1346606-66-3
CID: 71314886
Formula: C26H29Cl2NO
MW: 447.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count9
Exact Mass446.1940037
Monoisotopic Mass446.1940037
Topological Polar Surface Area12.5 Ų
Heavy Atom Count30
Formal Charge0
Complexity481
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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