CS-0533417
(2'R,4aR,4bS,6aS,7aS,8aS,8bS,8cR,9S)-9-(Chloromethyl)-4a,6a-dimethyl-4,4a,4b,5,6,6a,8,8a,8b,8c,9,10-dodecahydro-2H,3'H-spiro[cyclopropa[4,5]cyclopenta[1,2-a]phenanthrene-7,2'-furan]-2,5'(3H,4'H,7aH)-dione Drospirenone Impurity
Manufacturer: ChemScene
CAS Number: 932388-89-1
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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
C₂₄H₃₁ClO₃
Molecular Weight
402.95
Synonyms
7-Chloromethyl 17-epidrospirenone
SMILES
C[C@@]12[C@]3(OC(CC3)=O)[C@]4([H])[C@](C4)([H])[C@@]1([H])[C@@]5([H])[C@]([C@@]6(C(C[C@@H]5CCl)=CC(CC6)=O)C)([H])CC2
Tpsa
43.37
Logp
4.9149
H Acceptors
3
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: C₂₄H₃₁ClO₃
Molecular Weight: 402.95
Synonyms: 7-Chloromethyl 17-epidrospirenone
SMILES: C[C@@]12[C@]3(OC(CC3)=O)[C@]4([H])[C@](C4)([H])[C@@]1([H])[C@@]5([H])[C@]([C@@]6(C(C[C@@H]5CCl)=CC(CC6)=O)C)([H])CC2
Tpsa: 43.37
Logp: 4.9149
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:
C₂₄H₃₁ClO₃
Molecular Weight:
402.95
Synonyms:
7-Chloromethyl 17-epidrospirenone
SMILES:
C[C@@]12[C@]3(OC(CC3)=O)[C@]4([H])[C@](C4)([H])[C@@]1([H])[C@@]5([H])[C@]([C@@]6(C(C[C@@H]5CCl)=CC(CC6)=O)C)([H])CC2
Tpsa:
43.37
Logp:
4.9149
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: C₁₉H₁₉N₇O₆
Molecular Weight: 441.40
Synonyms: Isofolic acid
SMILES: O=C1C2=NC=C(CNC3=CC=C(C=C3)C(N[C@H](C(O)=O)CCC(O)=O)=O)NC2=NC(N)=N1
Tpsa: 213.28
Logp: -0.0932
H Acceptors: 9
H Donors: 6
Rotatable Bonds: 9
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₉N₇O₆
Molecular Weight:
441.40
Synonyms:
Isofolic acid
SMILES:
O=C1C2=NC=C(CNC3=CC=C(C=C3)C(N[C@H](C(O)=O)CCC(O)=O)=O)NC2=NC(N)=N1
Tpsa:
213.28
Logp:
-0.0932
H Acceptors:
9
H Donors:
6
Rotatable Bonds:
9
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₂F₃N₃O₂
Molecular Weight: 287.24
Synonyms: None
SMILES: O=C(O)/C=C1CCN(C2=NC=C(C(F)(F)F)C=N2)CC\1
Tpsa: 66.32
Logp: 2.1066
H Acceptors: 4
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:
C₁₂H₁₂F₃N₃O₂
Molecular Weight:
287.24
Synonyms:
None
SMILES:
O=C(O)/C=C1CCN(C2=NC=C(C(F)(F)F)C=N2)CC\1
Tpsa:
66.32
Logp:
2.1066
H Acceptors:
4
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: C₁₉H₂₃Cl₃N₂
Molecular Weight: 385.76
Synonyms: Dichloroimipramine Hydrochloride
SMILES: ClC1=CC=C2C(N(CCCN(C)C)C3=CC(Cl)=CC=C3CC2)=C1.Cl
Tpsa: 6.48
Logp: 5.6036
H Acceptors: 2
H Donors: 0
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:
C₁₉H₂₃Cl₃N₂
Molecular Weight:
385.76
Synonyms:
Dichloroimipramine Hydrochloride
SMILES:
ClC1=CC=C2C(N(CCCN(C)C)C3=CC(Cl)=CC=C3CC2)=C1.Cl
Tpsa:
6.48
Logp:
5.6036
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
4