Basic information
- CAS
58652-20-3- Standard SMILES
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
IIVBFTNIGYRNQY-YQLZSBIMSA-N- Molecular formula
- C23H30O4
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.21440943
Overview
Nomegestrol acetate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Nomegestrol Acetate
- IUPAC
- [(8S,9S,10R,13S,14S,17R)-17-acetyl-6,13-dimethyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
- English name
- Nomegestrol 17-acetate
- Molecular formula
- C23H30O4
- Molecular weight
- 370.48
Names & synonyms
Nomegestrol acetate58652-20-3NOMACTX 066TX-06619-Norpregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-ORG 10486-0ORG-10486-017-alpha-Acetoxy-6-methyl-19-nor-4,6-pregnadiene-3,20-dione83J78V5W0517-alpha-Hydroxy-6-methyl-19-norpregna-4,6-diene-3,20-dione acetate(1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
Show more names
tx066CS-839LutenylSurplantUniplantMELEGESTROL ACETATENomegsetrol acetate
DTXSID902073496-METHYL-3,20-DIOXO-19-NORPREGNA-4,6-DIEN-17-YL ACETATE17-ACETOXY-6-METHYL-19-NORPREGN-4,6-DIEN-3,20-DIONE(1R,3aS,3bS,9aR,9bS,11aS)-1-acetyl-5,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-1-yl acetateRefChem:854427DTXCID40129840261-379-8Zoely
Database identifiers
- CAS
58652-20-3- PubChem CID
- 91668
- DTXSID
DTXSID90207349- ChEMBL
CHEMBL1476022- ChEBI
CHEBI:135564- UNII
- 83J78V5W05
- EC Number
- 261-379-8
- Nikkaji
- J296.996C
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 775
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Human DrugsEMA approved medicines: Human medicine
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Boiling point
- 507.3 · 507.3±50.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 7 mg/mL · DMSO: ≥7mg/mL
- form
- powder
- color
- white to tan
- InChIKey
- IIVBFTNIGYRNQY-YQLZSBIMSA-N
- SMILES
- C1(=O)C=C2[C@]([H])(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@](OC(C)=O)(C(=O)C)CC3)C=C2C
- CAS DataBase Reference
- 58652 · 58652-20-3(CAS DataBase Reference)
- FDA UNII
- 83 J78V5W05 · 83J78V5W05
- Symbol(GHS)
- 8 · GHS08,GHS09
- Signal word
- Warning
- Hazard statements
- 361 fd-H400 · H361fd-H400
- Precautionary statements
- 280 · P280-P273-P281
- Hazard Codes
- N
- Risk Statements
- 63 · 63-50
- Safety Statements
- 61 · 61
- RIDADR
- 3077 · UN 3077 9 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 8899200 · RC8899200
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 3% (2 of 66) of reports.
Danger
H360F (25.8%): May damage fertility [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 66 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesRepr. 1A (25.8%)
Safety data
- wgk
- 3
- rtecs
- RC8899200
- ridadr
- UN 3077 9 / PGIII
- risk_code
- 63-50
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS09
- hazard_code
- N
- safety_code
- 61
- Hazard statements
- H361fd-H400
- Precautionary statements
- P280-P273-P281
Chemistry & industry
Applications
UsesNomegestrol 17-acetate is a progetin used in implantable hormone replacement therapies.
UsesContraceptive
Suppliers79 total
上海宇之诚医药科技有限公司13361818591 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
芷威（上海）化学科技有限公司021-20221225 13917446399 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
广州旺晟生物科技有限公司020-87317062 13048089691 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
上海陶素生化科技有限公司021-33632979 · [email protected]
湖北威德利化学试剂有限公司186-02735115 18602735115 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
武汉美安生物医药科技有限公司15377551262 · [email protected]
池州凯隆进出口贸易有限公司[email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
开封明仁药业有限公司0371-65741762 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
湖北源梦生物科技有限公司027-68897569 18120462897 · [email protected]
上海珞珐生化科技有限公司021-51111890 15317326293 · [email protected]
BOC Sciences16314854226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
南京罗迈美生物科技有限公司[email protected]
Cckinase, Inc.+1 (732)236-3202 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
Additional notes
DefinitionChEBI: Nomegestrol acetate is a corticosteroid hormone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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