CS-0531681
2-((8R,9S,13S,14S,17R)-17-Hydroxy-3-methoxy-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: 24284-84-2
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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
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
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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: 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
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₇NO
Molecular Weight: 215.29
Synonyms: 1-(2,6-Dimethylphenyl)-1,5,6,7-tetrahydro-2H-azepin-2-one
SMILES: O=C1C=CCCCN1C2=C(C)C=CC=C2C
Tpsa: 20.31
Logp: 2.98644
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₇NO
Molecular Weight:
215.29
Synonyms:
1-(2,6-Dimethylphenyl)-1,5,6,7-tetrahydro-2H-azepin-2-one
SMILES:
O=C1C=CCCCN1C2=C(C)C=CC=C2C
Tpsa:
20.31
Logp:
2.98644
H Acceptors:
1
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: C₂₇H₂₈F₆N₂O₂
Molecular Weight: 526.51
Synonyms: 5,6-Dehydro-17β-dutasteride
SMILES: C[C@@]12[C@](CC[C@@H]2C(NC3=C(C=CC(C(F)(F)F)=C3)C(F)(F)F)=O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5(C(NC(C=C5)=O)=CC4)C
Tpsa: 58.2
Logp: 6.7013
H Acceptors: 2
H Donors: 2
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:
C₂₇H₂₈F₆N₂O₂
Molecular Weight:
526.51
Synonyms:
5,6-Dehydro-17β-dutasteride
SMILES:
C[C@@]12[C@](CC[C@@H]2C(NC3=C(C=CC(C(F)(F)F)=C3)C(F)(F)F)=O)([H])[C@@]4([H])[C@@](CC1)([H])[C@@]5(C(NC(C=C5)=O)=CC4)C
Tpsa:
58.2
Logp:
6.7013
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
2