CS-0493627
((6aR,6'aR,9R,9'R,10aS,10'aS)-10a,10'a-Dimethoxy-4',7,7'-trimethyl-4',6a,6',6'a,7,7',8,8',9,9',10,10a,10',10'a-tetradecahydro-6H-[4,5'-biindolo[4,3-fg]quinoline]-9,9'-diyl)bis(methylene) bis(5-bromonicotinate) Nicergoline Impurity
Manufacturer: ChemScene
CAS Number: None
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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
C₄₇H₄₈Br₂N₆O₆
Molecular Weight
952.73
Synonyms
None
SMILES
CN1C[C@@H](C[C@](OC)(C2=C3C4=CC=C2)[C@]1(CC3=C(N4C)N5C=C6C[C@@]7([C@@](OC)(C8=C6C5=CC=C8)C[C@H](CN7C)COC(C9=CC(Br)=CN=C9)=O)[H])[H])COC(C%10=CC(Br)=CN=C%10)=O
Tpsa
113.18
Logp
7.5874
H Acceptors
12
H Donors
0
Rotatable Bonds
9
Other Options
...
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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: C₄₇H₄₈Br₂N₆O₆
Molecular Weight: 952.73
Synonyms: None
SMILES: CN1C[C@@H](C[C@](OC)(C2=C3C4=CC=C2)[C@]1(CC3=C(N4C)N5C=C6C[C@@]7([C@@](OC)(C8=C6C5=CC=C8)C[C@H](CN7C)COC(C9=CC(Br)=CN=C9)=O)[H])[H])COC(C%10=CC(Br)=CN=C%10)=O
Tpsa: 113.18
Logp: 7.5874
H Acceptors: 12
H Donors: 0
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:
C₄₇H₄₈Br₂N₆O₆
Molecular Weight:
952.73
Synonyms:
None
SMILES:
CN1C[C@@H](C[C@](OC)(C2=C3C4=CC=C2)[C@]1(CC3=C(N4C)N5C=C6C[C@@]7([C@@](OC)(C8=C6C5=CC=C8)C[C@H](CN7C)COC(C9=CC(Br)=CN=C9)=O)[H])[H])COC(C%10=CC(Br)=CN=C%10)=O
Tpsa:
113.18
Logp:
7.5874
H Acceptors:
12
H Donors:
0
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: C₇H₁₄ClF₂NO
Molecular Weight: 201.64
Synonyms: None
SMILES: Cl.CC1CNCCC1OC(F)F
Tpsa: 21.26
Logp: 1.6454
H Acceptors: 2
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:
C₇H₁₄ClF₂NO
Molecular Weight:
201.64
Synonyms:
None
SMILES:
Cl.CC1CNCCC1OC(F)F
Tpsa:
21.26
Logp:
1.6454
H Acceptors:
2
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: C₇H₁₃F₂NO
Molecular Weight: 165.18
Synonyms: None
SMILES: CC1CCNCC1OC(F)F
Tpsa: 21.26
Logp: 1.2236
H Acceptors: 2
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:
C₇H₁₃F₂NO
Molecular Weight:
165.18
Synonyms:
None
SMILES:
CC1CCNCC1OC(F)F
Tpsa:
21.26
Logp:
1.2236
H Acceptors:
2
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: C₇H₁₃F₂NO
Molecular Weight: 165.18
Synonyms: None
SMILES: FC(F)OC1CC(C)NCC1
Tpsa: 21.26
Logp: 1.3661
H Acceptors: 2
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:
C₇H₁₃F₂NO
Molecular Weight:
165.18
Synonyms:
None
SMILES:
FC(F)OC1CC(C)NCC1
Tpsa:
21.26
Logp:
1.3661
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2