CS-0531733
8-(Pyrimidin-2-yl)-5,8-diazaspiro[4.5]decan-5-ium chloride Buspirone Impurity
Manufacturer: ChemScene
CAS Number: 81461-72-5
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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
C₁₂H₁₉ClN₄
Molecular Weight
254.76
Synonyms
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane chloride
SMILES
C1(N2CC[N+]3(CCCC3)CC2)=NC=CC=N1.[Cl-]
Tpsa
29.02
Logp
-2.0888
H Acceptors
3
H Donors
0
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 81461-72-5 | 8-AZA-5-AZONIASPIRO(4.5)DECANE, 8-(2-PYRIMIDINYL)-, CHLORIDE (1:1) | A2B Chem | -- |
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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: C₁₂H₁₉ClN₄
Molecular Weight: 254.76
Synonyms: 8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane chloride
SMILES: C1(N2CC[N+]3(CCCC3)CC2)=NC=CC=N1.[Cl-]
Tpsa: 29.02
Logp: -2.0888
H Acceptors: 3
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:
C₁₂H₁₉ClN₄
Molecular Weight:
254.76
Synonyms:
8-(2-Pyrimidinyl)-8-aza-5-azoniaspiro[4.5]decane chloride
SMILES:
C1(N2CC[N+]3(CCCC3)CC2)=NC=CC=N1.[Cl-]
Tpsa:
29.02
Logp:
-2.0888
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: MFCD09833378
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₀Cl₂O₄
Molecular Weight: 453.40
Synonyms: 6-chloro-1α-chloromethyl-3,20-dioxo-pregna-4,6-dien-17α-acetoxy
SMILES: CC(O[C@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@@]4(C(C(Cl)=C3)=CC(C[C@@H]4CCl)=O)C)([H])CC2)([H])CC1)C)C(C)=O)=O
Tpsa: 60.44
Logp: 5.2166
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
MFCD09833378
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₀Cl₂O₄
Molecular Weight:
453.40
Synonyms:
6-chloro-1α-chloromethyl-3,20-dioxo-pregna-4,6-dien-17α-acetoxy
SMILES:
CC(O[C@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@@]4(C(C(Cl)=C3)=CC(C[C@@H]4CCl)=O)C)([H])CC2)([H])CC1)C)C(C)=O)=O
Tpsa:
60.44
Logp:
5.2166
H Acceptors:
4
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: C₂₅H₃₃ClO₆
Molecular Weight: 464.98
Synonyms: Beclomethasone 21-Monopropionate
SMILES: C[C@@]12[C@](C[C@@H]([C@]2(O)C(COC(CC)=O)=O)C)([H])[C@@]3([H])[C@]([C@H](C1)O)([C@@]4(C(CC3)=CC(C=C4)=O)C)Cl
Tpsa: 100.9
Logp: 3.1259
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₃ClO₆
Molecular Weight:
464.98
Synonyms:
Beclomethasone 21-Monopropionate
SMILES:
C[C@@]12[C@](C[C@@H]([C@]2(O)C(COC(CC)=O)=O)C)([H])[C@@]3([H])[C@]([C@H](C1)O)([C@@]4(C(CC3)=CC(C=C4)=O)C)Cl
Tpsa:
100.9
Logp:
3.1259
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₄H₃₁ClO₅
Molecular Weight: 434.95
Synonyms: 6β-Chloro-7α-hydroxy-6,7-dihydro Cyproterone Acetate
SMILES: C[C@@]12[C@]3([H])[C@]([C@@H]([C@H](C1=CC([C@@]4([H])[C@]2([H])C4)=O)Cl)O)([H])[C@@]5([H])[C@](CC3)([C@@](C(C)=O)(CC5)OC(C)=O)C
Tpsa: 80.67
Logp: 3.4532
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₄H₃₁ClO₅
Molecular Weight:
434.95
Synonyms:
6β-Chloro-7α-hydroxy-6,7-dihydro Cyproterone Acetate
SMILES:
C[C@@]12[C@]3([H])[C@]([C@@H]([C@H](C1=CC([C@@]4([H])[C@]2([H])C4)=O)Cl)O)([H])[C@@]5([H])[C@](CC3)([C@@](C(C)=O)(CC5)OC(C)=O)C
Tpsa:
80.67
Logp:
3.4532
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
2