CS-0914442
(12bR)-6-(1,3-benzodioxol-5-yl)-12-hydroxy-2-methyl-2,3,6,12b- tetrahydropyrazino[1′,2′:1,5]pyrrolo-[3,4-b]quinoline-1,4-dione
Manufacturer: ChemScene
CAS Number: 2520114-46-7
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₂H₁₇N₃O₅
Molecular Weight
403.39
Synonyms
None
SMILES
O=C1N2C(C=3C([C@@]2(C(=O)N(C)C1)[H])=C(O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa
92.2
Logp
2.1138
H Acceptors
6
H Donors
1
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: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₁₇N₃O₅
Molecular Weight: 403.39
Synonyms: None
SMILES: O=C1N2C(C=3C([C@@]2(C(=O)N(C)C1)[H])=C(O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa: 92.2
Logp: 2.1138
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 1
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₁₇N₃O₅
Molecular Weight:
403.39
Synonyms:
None
SMILES:
O=C1N2C(C=3C([C@@]2(C(=O)N(C)C1)[H])=C(O)C=4C(N3)=CC=CC4)C=5C=C6C(=CC5)OCO6
Tpsa:
92.2
Logp:
2.1138
H Acceptors:
6
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: C₁₉H₂₂N₈
Molecular Weight: 362.43
Synonyms: None
SMILES: N(C)(C1=C2C(N(C=C2)C3=C4C(=NC=N3)NC=C4)=NC=N1)[C@@H]5[C@H](C)CCNC5
Tpsa: 87.55
Logp: 2.126
H Acceptors: 7
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₂₂N₈
Molecular Weight:
362.43
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(C=C2)C3=C4C(=NC=N3)NC=C4)=NC=N1)[C@@H]5[C@H](C)CCNC5
Tpsa:
87.55
Logp:
2.126
H Acceptors:
7
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₈N₈
Molecular Weight: 452.55
Synonyms: None
SMILES: N(C)(C1=C2C(N(C=C2)C3=C4C(=NC=N3)NC=C4)=NC=N1)[C@H]5CN(CC6=CC=CC=C6)CC[C@H]5C
Tpsa: 78.76
Logp: 4.0386
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₈N₈
Molecular Weight:
452.55
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(C=C2)C3=C4C(=NC=N3)NC=C4)=NC=N1)[C@H]5CN(CC6=CC=CC=C6)CC[C@H]5C
Tpsa:
78.76
Logp:
4.0386
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₆H₂₆Cl₂N₈
Molecular Weight: 521.44
Synonyms: None
SMILES: N(C)(C1=C2C(N(C=C2)C3=C4C(=NC(Cl)=N3)NC=C4)=NC(Cl)=N1)[C@H]5CN(CC6=CC=CC=C6)CC[C@H]5C
Tpsa: 78.76
Logp: 5.3454
H Acceptors: 7
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₆H₂₆Cl₂N₈
Molecular Weight:
521.44
Synonyms:
None
SMILES:
N(C)(C1=C2C(N(C=C2)C3=C4C(=NC(Cl)=N3)NC=C4)=NC(Cl)=N1)[C@H]5CN(CC6=CC=CC=C6)CC[C@H]5C
Tpsa:
78.76
Logp:
5.3454
H Acceptors:
7
H Donors:
1
Rotatable Bonds:
5