CS-0533967
2-((8S,9S,10R,11S,13S,14S,17R)-11-Acetoxy-17-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 acetate Hydrocortisone Acetate Impurity
Manufacturer: ChemScene
CAS Number: 81968-66-3
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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
C₂₅H₃₄O₇
Molecular Weight
446.53
Synonyms
Hydrocortisone, 11,21-diacetate
SMILES
C[C@@]12[C@]3([H])[C@](CCC1=CC(CC2)=O)([H])[C@@]4([H])[C@](C[C@@H]3OC(C)=O)([C@](O)(CC4)C(COC(C)=O)=O)C
Tpsa
106.97
Logp
2.9232
H Acceptors
7
H Donors
1
Rotatable Bonds
4
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: C₂₅H₃₄O₇
Molecular Weight: 446.53
Synonyms: Hydrocortisone, 11,21-diacetate
SMILES: C[C@@]12[C@]3([H])[C@](CCC1=CC(CC2)=O)([H])[C@@]4([H])[C@](C[C@@H]3OC(C)=O)([C@](O)(CC4)C(COC(C)=O)=O)C
Tpsa: 106.97
Logp: 2.9232
H Acceptors: 7
H Donors: 1
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:
C₂₅H₃₄O₇
Molecular Weight:
446.53
Synonyms:
Hydrocortisone, 11,21-diacetate
SMILES:
C[C@@]12[C@]3([H])[C@](CCC1=CC(CC2)=O)([H])[C@@]4([H])[C@](C[C@@H]3OC(C)=O)([C@](O)(CC4)C(COC(C)=O)=O)C
Tpsa:
106.97
Logp:
2.9232
H Acceptors:
7
H Donors:
1
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: C₂₄H₃₂O₄S
Molecular Weight: 416.57
Synonyms: 7-Beta-Spironolactone
SMILES: C[C@@]12[C@@]3(OC(CC3)=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: 4.8523
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:
C₂₄H₃₂O₄S
Molecular Weight:
416.57
Synonyms:
7-Beta-Spironolactone
SMILES:
C[C@@]12[C@@]3(OC(CC3)=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:
4.8523
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: C₂₀H₃₂O₃
Molecular Weight: 320.47
Synonyms: Tiamulin EP Impurity A
SMILES: C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1O)C=C)O)([C@@H](CC2)C)C
Tpsa: 57.53
Logp: 3.342
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:
C₂₀H₃₂O₃
Molecular Weight:
320.47
Synonyms:
Tiamulin EP Impurity A
SMILES:
C[C@@H]1[C@]23[C@](C(CC3)=O)([H])[C@]([C@@H](C[C@](C)([C@H]1O)C=C)O)([C@@H](CC2)C)C
Tpsa:
57.53
Logp:
3.342
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: C₂₃H₃₄Cl₃N₃
Molecular Weight: 458.90
Synonyms: Demethyl Chlorpromazine Hydrochloride
SMILES: ClC1=CC=C2C(N(CCCN(CCCN(C)C)C)C3=C(CC2)C=CC=C3)=C1.Cl.Cl
Tpsa: 9.72
Logp: 5.6939
H Acceptors: 3
H Donors: 0
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₄Cl₃N₃
Molecular Weight:
458.90
Synonyms:
Demethyl Chlorpromazine Hydrochloride
SMILES:
ClC1=CC=C2C(N(CCCN(CCCN(C)C)C)C3=C(CC2)C=CC=C3)=C1.Cl.Cl
Tpsa:
9.72
Logp:
5.6939
H Acceptors:
3
H Donors:
0
Rotatable Bonds:
8