CS-0533530
(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-3,17-dihydroxy-7,8,9,11,12,13,14,17-octahydro-6H-cyclopenta[a]phenanthren-6-one Gestodene Impurity
Manufacturer: ChemScene
CAS Number: 1421283-61-5
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₁H₂₂O₃
Molecular Weight
322.40
Synonyms
Gestodene Impurity 11（Gestodene EP Impurity K）
SMILES
CC[C@@]12[C@](C=C[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4C(C3)=O)([H])CC1
Tpsa
57.53
Logp
3.4189
H Acceptors
3
H Donors
2
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1421283-61-5 | Aromatic 6-Keto Gestodene | A2B Chem | -- |
SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₁H₂₂O₃
Molecular Weight: 322.40
Synonyms: Gestodene Impurity 11（Gestodene EP Impurity K）
SMILES: CC[C@@]12[C@](C=C[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4C(C3)=O)([H])CC1
Tpsa: 57.53
Logp: 3.4189
H Acceptors: 3
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₂O₃
Molecular Weight:
322.40
Synonyms:
Gestodene Impurity 11（Gestodene EP Impurity K）
SMILES:
CC[C@@]12[C@](C=C[C@@]2(O)C#C)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4C(C3)=O)([H])CC1
Tpsa:
57.53
Logp:
3.4189
H Acceptors:
3
H Donors:
2
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD13152034
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₀H₂₄FN₃O₄
Molecular Weight: 389.42
Synonyms: Ethyl 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
SMILES: O=C1C2=CC(F)=C(N3CCN(CC3)C)C4=C2N(C=C1C(OCC)=O)[C@@H](C)CO4
Tpsa: 64.01
Logp: 2.0225
H Acceptors: 7
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD13152034
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₀H₂₄FN₃O₄
Molecular Weight:
389.42
Synonyms:
Ethyl 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-3,7-dihydro-2H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylate
SMILES:
O=C1C2=CC(F)=C(N3CCN(CC3)C)C4=C2N(C=C1C(OCC)=O)[C@@H](C)CO4
Tpsa:
64.01
Logp:
2.0225
H Acceptors:
7
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₈H₅₃N₇O₄
Molecular Weight: 671.87
Synonyms: Zolmitriptan Related Compound F (2,2'-[4-(Dimethylamino)butane-1,1-diyl]bis{5-[(S)-(2-oxooxazolidin-4-yl)methyl]-3-(2-dimethylaminoethyl)indole})
SMILES: CN(C)CCCC(C1=C(C2=CC(C[C@H]3COC(N3)=O)=CC=C2N1)CCN(C)C)C4=C(C5=CC(C[C@H]6COC(N6)=O)=CC=C5N4)CCN(C)C
Tpsa: 117.96
Logp: 4.6329
H Acceptors: 7
H Donors: 4
Rotatable Bonds: 16
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₈H₅₃N₇O₄
Molecular Weight:
671.87
Synonyms:
Zolmitriptan Related Compound F (2,2'-[4-(Dimethylamino)butane-1,1-diyl]bis{5-[(S)-(2-oxooxazolidin-4-yl)methyl]-3-(2-dimethylaminoethyl)indole})
SMILES:
CN(C)CCCC(C1=C(C2=CC(C[C@H]3COC(N3)=O)=CC=C2N1)CCN(C)C)C4=C(C5=CC(C[C@H]6COC(N6)=O)=CC=C5N4)CCN(C)C
Tpsa:
117.96
Logp:
4.6329
H Acceptors:
7
H Donors:
4
Rotatable Bonds:
16
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₂₄N₂O₆
Molecular Weight: 304.34
Synonyms: None
SMILES: C[C@H]1CNC[C@@H](N1C(OC(C)(C)C)=O)C.O=C(O)C(O)=O
Tpsa: 116.17
Logp: 0.7593
H Acceptors: 5
H Donors: 3
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₂₄N₂O₆
Molecular Weight:
304.34
Synonyms:
None
SMILES:
C[C@H]1CNC[C@@H](N1C(OC(C)(C)C)=O)C.O=C(O)C(O)=O
Tpsa:
116.17
Logp:
0.7593
H Acceptors:
5
H Donors:
3
Rotatable Bonds:
0