CS-0532857
2-((8S,9S,10R,11S,13S,14S,17R)-17-((Ethoxycarbonyl)oxy)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl propionate Prednicarbate Impurity
Manufacturer: ChemScene
CAS Number: 671225-26-6
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Purity
98%
MDL No
MFCD22683712
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₇H₃₈O₈
Molecular Weight
490.59
Synonyms
1,2-Dihydro Prednicarbate
SMILES
CCC(OCC([C@@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@@]4(C(CC3)=CC(CC4)=O)C)([H])[C@H](C2)O)([H])CC1)C)OC(OCC)=O)=O)=O
Tpsa
116.2
Logp
3.9233
H Acceptors
8
H Donors
1
Rotatable Bonds
6
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | Prednicarbate Related Compound A | Sigma Aldrich | ₹ 1,40,194.58 | |
 | 671225-26-6 | PREDNICARBATE RELATED COMPOUND A (20 MG) (1,2-DIHYDROPREDNICARBATE) | A2B Chem | ₹ 99,848.52 |
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: MFCD22683712
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₃₈O₈
Molecular Weight: 490.59
Synonyms: 1,2-Dihydro Prednicarbate
SMILES: CCC(OCC([C@@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@@]4(C(CC3)=CC(CC4)=O)C)([H])[C@H](C2)O)([H])CC1)C)OC(OCC)=O)=O)=O
Tpsa: 116.2
Logp: 3.9233
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 6
Purity:
98%
MDL No:
MFCD22683712
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₇H₃₈O₈
Molecular Weight:
490.59
Synonyms:
1,2-Dihydro Prednicarbate
SMILES:
CCC(OCC([C@@]1([C@@]2([C@@]([C@@]3([H])[C@]([C@@]4(C(CC3)=CC(CC4)=O)C)([H])[C@H](C2)O)([H])CC1)C)OC(OCC)=O)=O)=O
Tpsa:
116.2
Logp:
3.9233
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₁H₁₇ClN₂O₂
Molecular Weight: 244.72
Synonyms: Isopilocarpine hydrochloride
SMILES: CC[C@@H](C(OC1)=O)[C@H]1CC2=CN=CN2C.Cl
Tpsa: 44.12
Logp: 1.5836
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:
C₁₁H₁₇ClN₂O₂
Molecular Weight:
244.72
Synonyms:
Isopilocarpine hydrochloride
SMILES:
CC[C@@H](C(OC1)=O)[C@H]1CC2=CN=CN2C.Cl
Tpsa:
44.12
Logp:
1.5836
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: 4°C, protect from light
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₀N₂O₃
Molecular Weight: 230.22
Synonyms: 4-Nitro-2-phenoxyaniline
SMILES: [O-][N+](C1=CC=C(C(OC2=CC=CC=C2)=C1)N)=O
Tpsa: 78.39
Logp: 2.9693
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
4°C, protect from light
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₂H₁₀N₂O₃
Molecular Weight:
230.22
Synonyms:
4-Nitro-2-phenoxyaniline
SMILES:
[O-][N+](C1=CC=C(C(OC2=CC=CC=C2)=C1)N)=O
Tpsa:
78.39
Logp:
2.9693
H Acceptors:
4
H Donors:
1
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: C₂₆H₄₃NaO₉
Molecular Weight: 522.60
Synonyms: Sodium; 9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate
SMILES: O[C@@H]1[C@@]2([H])[C@@](CO[C@H]1C/C(C)=C/C(OCCCCCCCCC(O[Na])=O)=O)([H])C[C@@H]([C@@](O2)([H])[C@@H](C)[C@@H](O)C)O
Tpsa: 131.75
Logp: 2.1346
H Acceptors: 9
H Donors: 3
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₄₃NaO₉
Molecular Weight:
522.60
Synonyms:
Sodium; 9-[(E)-4-[(2R,3S,4aS,7S,8S,8aR)-3,8-dihydroxy-2-[(2S,3S)-3-hydroxybutan-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyran-7-yl]-3-methylbut-2-enoyl]oxynonanoate
SMILES:
O[C@@H]1[C@@]2([H])[C@@](CO[C@H]1C/C(C)=C/C(OCCCCCCCCC(O[Na])=O)=O)([H])C[C@@H]([C@@](O2)([H])[C@@H](C)[C@@H](O)C)O
Tpsa:
131.75
Logp:
2.1346
H Acceptors:
9
H Donors:
3
Rotatable Bonds:
14