CS-0531679
2-((8R,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile Dienogest Impurity
Manufacturer: ChemScene
CAS Number: 16669-06-0
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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
C₂₀H₂₅NO₂
Molecular Weight
311.42
Synonyms
None
SMILES
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4CC3)([H])CC1
Tpsa
64.25
Logp
3.89308
H Acceptors
3
H Donors
2
Rotatable Bonds
1
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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: C₂₀H₂₅NO₂
Molecular Weight: 311.42
Synonyms: None
SMILES: C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4CC3)([H])CC1
Tpsa: 64.25
Logp: 3.89308
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:
C₂₀H₂₅NO₂
Molecular Weight:
311.42
Synonyms:
None
SMILES:
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(O)C=C4CC3)([H])CC1
Tpsa:
64.25
Logp:
3.89308
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: C₂₀H₂₇NO₂
Molecular Weight: 313.43
Synonyms: (17α)-17-Hydroxy-3-oxo-19-norpregn-5(10)-ene-21-nitrile
SMILES: C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=C(CC(CC4)=O)CC3)([H])CC1
Tpsa: 61.09
Logp: 3.91708
H Acceptors: 3
H Donors: 1
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:
C₂₀H₂₇NO₂
Molecular Weight:
313.43
Synonyms:
(17α)-17-Hydroxy-3-oxo-19-norpregn-5(10)-ene-21-nitrile
SMILES:
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=C(CC(CC4)=O)CC3)([H])CC1
Tpsa:
61.09
Logp:
3.91708
H Acceptors:
3
H Donors:
1
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: C₂₁H₂₇NO₂
Molecular Weight: 325.44
Synonyms: 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile
SMILES: C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(OC)C=C4CC3)([H])CC1
Tpsa: 53.25
Logp: 4.19608
H Acceptors: 3
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:
C₂₁H₂₇NO₂
Molecular Weight:
325.44
Synonyms:
2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile
SMILES:
C[C@@]12[C@](CC[C@@]2(O)CC#N)([H])[C@@]3([H])[C@](C4=CC=C(OC)C=C4CC3)([H])CC1
Tpsa:
53.25
Logp:
4.19608
H Acceptors:
3
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: C₁₇H₂₃I₂N₃O₈
Molecular Weight: 651.19
Synonyms: N,N'-Bis(2,3-dihydroxypropyl)-2-(hydroxymethyl)-5,7-diiodo-3,4-dihydro-2H-1,4-benzoxazine-6,8-dicarboxamide
SMILES: O=C(C1=C(C2=C(C(C(NCC(CO)O)=O)=C1I)OC(CO)CN2)I)NCC(CO)O
Tpsa: 180.61
Logp: -1.773
H Acceptors: 9
H Donors: 8
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:
C₁₇H₂₃I₂N₃O₈
Molecular Weight:
651.19
Synonyms:
N,N'-Bis(2,3-dihydroxypropyl)-2-(hydroxymethyl)-5,7-diiodo-3,4-dihydro-2H-1,4-benzoxazine-6,8-dicarboxamide
SMILES:
O=C(C1=C(C2=C(C(C(NCC(CO)O)=O)=C1I)OC(CO)CN2)I)NCC(CO)O
Tpsa:
180.61
Logp:
-1.773
H Acceptors:
9
H Donors:
8
Rotatable Bonds:
9