CAS 313-06-4|(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl 3-cyclopentylpropanoate|ECP|ESTRADIOL CYCLOPENTYLPROPIONATE|Depoestradiol|Estradio...

Molecular Formula

C₂₆H₃₆O₃

Molecular Mass

396.56224

Exact Mass

396.26644501

InChI

InChI=1S/C26H36O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h8,10,16-17,21-24,27H,2-7,9,11-15H2,1H3/t21-,22-,23+,24+,26+/m1/s1

InChIKey

UOACKFBJUYNSLK-XRKIENNPSA-N

Canonic Smiles

O=C(O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O)CCC1CCCC1

Isomeric Smiles

C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1

JChem

Acid pKa

10.327061

H Acceptors

H Donor

LogD (pH = 5.5)

6.488724

LogD (pH = 7.4)

6.4882197

Log P

6.4887304

Molar Refractivity

114.8335

Polarizability

45.45951

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

false

IUPAC name

(1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-trien-14-yl 3-cyclopentylpropanoate (1S,10R,11S,14S,15S)-5-hydroxy-15-methyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-2,4,6-trien-14-yl 3-cyclopentylpropanoate

IUPAC Traditional name

ECP depofemin

Synonyms

ESTRADIOL CYCLOPENTYLPROPIONATEDepoestradiolEstradiol cypionate3,17β-Hydroxy-1,3,5(10)-estratriene 17-cyclopentylpropionate17β-Estradiol-17-cypionate1,3,5(10)-Estratriene-3,17β-diol 17-cyclopentylpropionateβ-Estradiol 17-cypionateDepofemin

Wikipedia Title

Estradiol_cypionate

PubChem SID

24894663162094776

MDL Number

MFCD00056558

Product Information

Certificate of Analysis

Download link

Purity

97%

Safety Information

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

KG4600000

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Danger

45-46-61-20/21/22

P201-P280-P308+P313

53-22-36/37/39-45

Toxic (T)

H302-H312-H332-H350-H360

Pharmacology Properties

Rx-only

Oral, IM

No Data Available

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No Data Available

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MP Biomedicals

05210754

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

IUPAC name

IUPAC Traditional name

ECP depofemin

Synonyms

Wikipedia Title

PubChem SID

MDL Number

MP Biomedicals Rare Chemical collection

No Data Available

Click here to submit data

Product Information

Certificate of Analysis

Download link

Purity

97%

Safety Information

MSDS Link

Download link

Personal Protective Equipment

Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

KG4600000

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

Danger

45-46-61-20/21/22

P201-P280-P308+P313

53-22-36/37/39-45

Toxic (T)

H302-H312-H332-H350-H360

Pharmacology Properties

Rx-only

Oral, IM

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

Molecule

ID:109356