Basic information
- CAS
58311-09-4- Standard SMILES
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3CC[C@@]21C- InChIKey
YNVGQYHLRCDXFQ-JBKQDOAHSA-N- Molecular formula
- C20H28O
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.21401551
Names & identifiers
- Preferred name
- 19-Norpregn-4-en-20-yn-17-ol
- IUPAC
- (8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
- English name
- Lynestrenol EP impurity B
- Molecular formula
- C20H28O
- Molecular weight
- 284.44
Names & synonyms
58311-09-4IN20I6UNU619-Norpregn-4-en-20-yn-17-olUNII-IN20I6UNU6Lynestrenol impurity B [EP]DTXSID30858975LYNESTRENOL IMPURITY B [EP IMPURITY]LYNESTRENOL IMPURITY B (EP IMPURITY)Lynestrenol impurity BRefChem:79534DTXCID201478856-330-8
Show more names
19-Norpregn-4-en-20-yn-17-ol (9CI)
(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol17-Epi LynestrenolDSSTox_CID_1478Lynestrenol EP Impurity B19-Norpregn-4-en-20-yn-17-ol, (17alpha)-CHEMBL3182598(17alpha)-17-ethynylestr-4-en-17-ol(8R,9S,10R,13S,14S,17S)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-ol
Database identifiers
- CAS
58311-09-4- PubChem CID
- 5284486
- DTXSID
DTXSID30858975- ChEMBL
CHEMBL3182598- UNII
- IN20I6UNU6
- EC Number
- 856-330-8
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Boiling point
- 399.6 · 399.6±42.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.40(Predicted)
- FDA UNII
- 20 I6UNU6 · IN20I6UNU6
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Danger
- Hazard statements
- 351 · H351-H302-H341-H360Df
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 18 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H351-H302-H341-H360Df
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501-P201-P202-P281-P308+P313-P405-P501-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC CodeG03DC03
Suppliers2 total
Pharmaffiliates Analytics and Synthetics P. Ltd[email protected]
SynZeal Research Pvt Ltd[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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