CS-1001118
Bromocriptine Mesilate Impurity 13
Manufacturer: ChemScene
CAS Number: 1349233-25-5
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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
C₃₃H₄₂BrN₅O₅
Molecular Weight
668.62
Synonyms
None
SMILES
O(C)[C@@]12N([C@@H](CC(C)C)C(=O)N3C1(CCC3)[H])C(=O)[C@@](NC(=O)[C@@H]4C=C5C=6C=7C(CC5(N(C)C4)[H])=C(Br)NC7C=CC6)([C@H](C)C)O2
Tpsa
107.21
Logp
3.8469
H Acceptors
6
H Donors
2
Rotatable Bonds
6
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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: C₃₃H₄₂BrN₅O₅
Molecular Weight: 668.62
Synonyms: None
SMILES: O(C)[C@@]12N([C@@H](CC(C)C)C(=O)N3C1(CCC3)[H])C(=O)[C@@](NC(=O)[C@@H]4C=C5C=6C=7C(CC5(N(C)C4)[H])=C(Br)NC7C=CC6)([C@H](C)C)O2
Tpsa: 107.21
Logp: 3.8469
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₃H₄₂BrN₅O₅
Molecular Weight:
668.62
Synonyms:
None
SMILES:
O(C)[C@@]12N([C@@H](CC(C)C)C(=O)N3C1(CCC3)[H])C(=O)[C@@](NC(=O)[C@@H]4C=C5C=6C=7C(CC5(N(C)C4)[H])=C(Br)NC7C=CC6)([C@H](C)C)O2
Tpsa:
107.21
Logp:
3.8469
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
6
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₇H₄₄N₂O₄
Molecular Weight: 460.65
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H](C2=O)N6CCOCC6)[H]
Tpsa: 62.24
Logp: 2.5805
H Acceptors: 6
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:
C₂₇H₄₄N₂O₄
Molecular Weight:
460.65
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(C[C@H](O)[C@H](C4)N5CCOCC5)[H])(CC1)[H])[H])(C[C@@H](C2=O)N6CCOCC6)[H]
Tpsa:
62.24
Logp:
2.5805
H Acceptors:
6
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: C₁₄H₉ClO₄
Molecular Weight: 276.67
Synonyms: None
SMILES: O=C(OOC(=O)C=1C=CC=C(Cl)C1)C=2C=CC=CC2
Tpsa: 52.6
Logp: 3.2688
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:
C₁₄H₉ClO₄
Molecular Weight:
276.67
Synonyms:
None
SMILES:
O=C(OOC(=O)C=1C=CC=C(Cl)C1)C=2C=CC=CC2
Tpsa:
52.6
Logp:
3.2688
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: C₄₂H₇₉NO₅Si₂
Molecular Weight: 734.25
Synonyms: None
SMILES: O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(N(CCCC)C)=O)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)=C[C@H](C)C1)[H]
Tpsa: 65.07
Logp: 11.3386
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 17
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₂H₇₉NO₅Si₂
Molecular Weight:
734.25
Synonyms:
None
SMILES:
O(C(C(CC)(C)C)=O)[C@@H]1[C@]2(C(C=C[C@H](C)[C@@H]2CC[C@H](C[C@H](CC(N(CCCC)C)=O)O[Si](C(C)(C)C)(C)C)O[Si](C(C)(C)C)(C)C)=C[C@H](C)C1)[H]
Tpsa:
65.07
Logp:
11.3386
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
17