CS-0533437
(8S,9R,10S,13S,14S,17R)-17-Acetyl-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one Dydrogesterone Impurity
Manufacturer: ChemScene
CAS Number: 246038-13-1
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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
C₂₁H₂₈O₂
Molecular Weight
312.45
Synonyms
9beta,10alpha,17alpha-Pregna-4,6-diene-3,20-dione
SMILES
C[C@]12[C@@]3([H])[C@](C=CC1=CC(CC2)=O)([H])[C@@]4([H])[C@](CC3)([C@@H](CC4)C(C)=O)C
Tpsa
34.14
Logp
4.4995
H Acceptors
2
H Donors
0
Rotatable Bonds
1
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: C₂₁H₂₈O₂
Molecular Weight: 312.45
Synonyms: 9beta,10alpha,17alpha-Pregna-4,6-diene-3,20-dione
SMILES: C[C@]12[C@@]3([H])[C@](C=CC1=CC(CC2)=O)([H])[C@@]4([H])[C@](CC3)([C@@H](CC4)C(C)=O)C
Tpsa: 34.14
Logp: 4.4995
H Acceptors: 2
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:
C₂₁H₂₈O₂
Molecular Weight:
312.45
Synonyms:
9beta,10alpha,17alpha-Pregna-4,6-diene-3,20-dione
SMILES:
C[C@]12[C@@]3([H])[C@](C=CC1=CC(CC2)=O)([H])[C@@]4([H])[C@](CC3)([C@@H](CC4)C(C)=O)C
Tpsa:
34.14
Logp:
4.4995
H Acceptors:
2
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: C₂₁H₂₅N₃O₅
Molecular Weight: 399.44
Synonyms: None
SMILES: O=C(C1=C(C)NC(C)=C(C1C2=CC=CC3=NON=C32)C(OC(C)C)=O)OC(C)C
Tpsa: 103.55
Logp: 3.3608
H Acceptors: 8
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₁H₂₅N₃O₅
Molecular Weight:
399.44
Synonyms:
None
SMILES:
O=C(C1=C(C)NC(C)=C(C1C2=CC=CC3=NON=C32)C(OC(C)C)=O)OC(C)C
Tpsa:
103.55
Logp:
3.3608
H Acceptors:
8
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: MFCD29079087
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₄₁NO₃
Molecular Weight: 415.61
Synonyms: DES(1-methylpiperidinium)-17-oxo vecuronium
SMILES: C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])C[C@@H]([C@](N4CCCCC4)([H])C2)OC(C)=O)([H])[C@@]5([H])[C@](CC3)(C(CC5)=O)C
Tpsa: 46.61
Logp: 4.9943
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
98%
MDL No:
MFCD29079087
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₄₁NO₃
Molecular Weight:
415.61
Synonyms:
DES(1-methylpiperidinium)-17-oxo vecuronium
SMILES:
C[C@@]12[C@]3([H])[C@](CC[C@@]1([H])C[C@@H]([C@](N4CCCCC4)([H])C2)OC(C)=O)([H])[C@@]5([H])[C@](CC3)(C(CC5)=O)C
Tpsa:
46.61
Logp:
4.9943
H Acceptors:
4
H Donors:
0
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: C₂₃H₂₈O₅
Molecular Weight: 384.47
Synonyms: Eplerenone Impurity A
SMILES: C[C@@]12[C@]34[C@]([C@@H](CC1=CC(CC2)=O)C(O4)=O)([H])[C@@]5([H])[C@](CC3)([C@@]6(OC(CC6)=O)CC5)C
Tpsa: 69.67
Logp: 3.4996
H Acceptors: 5
H Donors: 0
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:
C₂₃H₂₈O₅
Molecular Weight:
384.47
Synonyms:
Eplerenone Impurity A
SMILES:
C[C@@]12[C@]34[C@]([C@@H](CC1=CC(CC2)=O)C(O4)=O)([H])[C@@]5([H])[C@](CC3)([C@@]6(OC(CC6)=O)CC5)C
Tpsa:
69.67
Logp:
3.4996
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
0