Basic information
- CAS
13732-69-9- Standard SMILES
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC- InChIKey
YDQDJLTYVZAOQX-GOMYTPFNSA-N- Molecular formula
- C23H30O3
- Average molar mass
- 354.5 g/mol
- Monoisotopic mass
- 354.21949482
Overview
See also: Levonorgestrel (has active moiety).
Names & identifiers
- Preferred name
- Levonorgestrel Acetate
- IUPAC
- [(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- English name
- norgestrel acetate
- Molecular formula
- C23H30O3
- Molecular weight
- 354.4825
Names & synonyms
Levonorgestrel acetate13732-69-9VF642934XZLEVONORGESTREL 17-ACETATEDTXSID301314299LEVONORGESTREL ACETATE [WHO-DD]NORGESTIMATE IMPURITY A [EP IMPURITY](17.ALPHA.)-17-(ACETYLOXY)-13-ETHYL-18,19-DINORPREGN-4-EN-20-YN-3-ONE13.BETA.-ETHYL-3-OXO-18,19-DINOR-17.ALPHA.-PREGN-4-EN-20-YN-17-YL ACETATE18,19-DINORPREGN-4-EN-20-YN-3-ONE, 17-(ACETYLOXY)-13-ETHYL-, (17.ALPHA.)-NORGESTIMATE IMPURITY A (EP IMPURITY)RefChem:799031
Show more names
norgestrel acetateNorgestimate EP Impurity A (Norgestimate USP Related Compound A) (Mixture of Enantiomers)
DTXCID301744105(17ALPHA)-17-(ACETYLOXY)-13-ETHYL-18,19-DINORPREGN-4-EN-20-YN-3-ONE13BETA-ETHYL-3-OXO-18,19-DINOR-17ALPHA-PREGN-4-EN-20-YN-17-YL ACETATE18,19-DINORPREGN-4-EN-20-YN-3-ONE, 17-(ACETYLOXY)-13-ETHYL-, (17ALPHA)-D-(-)-Norgestrel 17-AcetateNorgestimate EP Impurity A18290-31-8[(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 710
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P263, P264, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P319, P321, P330, P332+P317, P333+P317, P362+P364, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: (17β)-13-Ethyl-17-ethynyl-3-oxogon-4-en-17-yl acetate (EC: 604-013-8)
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Chemistry & industry
Applications
DescriptionNorgestrel acetate is a synthetic progestational agent with actions similar to those of Progesterone.
Suppliers18 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海鑫矽新材料有限公司13585834793 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
深圳博泰尔生物技术有限公司13316949107 13316968096 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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