CS-0532738
S-((2'R,7R,8R,9S,10R,13S,14S)-10,13-Dimethyl-3,5'-dioxo-1,2,3,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-5'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate Spironolactone Impurity
Manufacturer: ChemScene
CAS Number: 132458-33-4
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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
C₂₄H₃₀O₄S
Molecular Weight
414.56
Synonyms
Delta-20-Spironolactone
SMILES
C[C@@]12[C@@]3(OC(C=C3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4SC(C)=O)=CC(CC5)=O)C)([H])CC2
Tpsa
60.44
Logp
4.6283
H Acceptors
5
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 132458-33-4 | 20,21-Dehydro Spironolactone | A2B Chem | ₹ 1,69,922.16 |
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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: C₂₄H₃₀O₄S
Molecular Weight: 414.56
Synonyms: Delta-20-Spironolactone
SMILES: C[C@@]12[C@@]3(OC(C=C3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4SC(C)=O)=CC(CC5)=O)C)([H])CC2
Tpsa: 60.44
Logp: 4.6283
H Acceptors: 5
H Donors: 0
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:
C₂₄H₃₀O₄S
Molecular Weight:
414.56
Synonyms:
Delta-20-Spironolactone
SMILES:
C[C@@]12[C@@]3(OC(C=C3)=O)CC[C@@]1([H])[C@@]4([H])[C@]([C@@]5(C(C[C@H]4SC(C)=O)=CC(CC5)=O)C)([H])CC2
Tpsa:
60.44
Logp:
4.6283
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1
Purity: 97%
MDL No: MFCD28009430
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₄₅H₄₃Cl₂N₅
Molecular Weight: 724.76
Synonyms: Rupatadine Impurity C
SMILES: ClC1=CC(CCC2=C(/C3=C4CCN(CC/4)CC5=CN=CC(CN6CC/C(CC6)=C7C8=C(CCC9=C/7C=CC(Cl)=C9)C=CC=N8)=C5)N=CC=C2)=C3C=C1
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
97%
MDL No:
MFCD28009430
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₅H₄₃Cl₂N₅
Molecular Weight:
724.76
Synonyms:
Rupatadine Impurity C
SMILES:
ClC1=CC(CCC2=C(/C3=C4CCN(CC/4)CC5=CN=CC(CN6CC/C(CC6)=C7C8=C(CCC9=C/7C=CC(Cl)=C9)C=CC=N8)=C5)N=CC=C2)=C3C=C1
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₅H₃₉F₂N₅O₃
Molecular Weight: 615.71
Synonyms: 3-(2-(4-(4-Fluoro-2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)benzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one
SMILES: O=C1C(CCN2CCC(CC2)C(C3=CC=C(C=C3N4CCC(CC4)C5=NOC6=C5C=CC(F)=C6)F)=O)=C(C)N=C7N1CCCC7
Tpsa: 84.47
Logp: 5.82882
H Acceptors: 8
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₅H₃₉F₂N₅O₃
Molecular Weight:
615.71
Synonyms:
3-(2-(4-(4-Fluoro-2-(4-(6-fluoro-1,2-benzisoxazol-3-yl)piperidin-1-yl)benzoyl)piperidin-1-yl)ethyl)-2-methyl-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidin-4-one
SMILES:
O=C1C(CCN2CCC(CC2)C(C3=CC=C(C=C3N4CCC(CC4)C5=NOC6=C5C=CC(F)=C6)F)=O)=C(C)N=C7N1CCCC7
Tpsa:
84.47
Logp:
5.82882
H Acceptors:
8
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₅₉H₈₄N₁₆O₁₂
Molecular Weight: 1209.40
Synonyms: (D-Tyr5)-leuprolide
SMILES: O=C([C@@H]1CCC(N1)=O)N[C@@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa: 429.04
Logp: -1.22843
H Acceptors: 14
H Donors: 16
Rotatable Bonds: 32
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₉H₈₄N₁₆O₁₂
Molecular Weight:
1209.40
Synonyms:
(D-Tyr5)-leuprolide
SMILES:
O=C([C@@H]1CCC(N1)=O)N[C@@H](CC2=CN=CN2)C(N[C@H](C(N[C@@H](CO)C(N[C@@H](C(N[C@H](CC(C)C)C(N[C@@H](CC(C)C)C(N[C@@H](CCCNC(N)=N)C(N3[C@@H](CCC3)C(NCC)=O)=O)=O)=O)=O)CC4=CC=C(C=C4)O)=O)=O)CC5=CNC6=CC=CC=C56)=O
Tpsa:
429.04
Logp:
-1.22843
H Acceptors:
14
H Donors:
16
Rotatable Bonds:
32