CS-0914079
sodium (41S,12R,13aS)-13a-ethyl-12-hydroxy-2,3,41,5,6,12, 13,13a-octahydro-1H-indolo[3,2,1-de]pyrido[3,2,1-ij][1,5] naphthyridine-12-carboxylate
Manufacturer: ChemScene
CAS Number: 53448-45-6
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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
C₂₀H₂₄N₂O₃
Molecular Weight
340.42
Synonyms
None
SMILES
C(O)(=O)[C@@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa
65.7
Logp
2.8641
H Acceptors
4
H Donors
2
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: C₂₀H₂₄N₂O₃
Molecular Weight: 340.42
Synonyms: None
SMILES: C(O)(=O)[C@@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa: 65.7
Logp: 2.8641
H Acceptors: 4
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:
C₂₀H₂₄N₂O₃
Molecular Weight:
340.42
Synonyms:
None
SMILES:
C(O)(=O)[C@@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H]
Tpsa:
65.7
Logp:
2.8641
H Acceptors:
4
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: C₂₀H₂₄N₂NaO₃
Molecular Weight: 363.41
Synonyms: None
SMILES: C(O)(=O)[C@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H].[Na]
Tpsa: 65.7
Logp: 2.4833
H Acceptors: 4
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:
C₂₀H₂₄N₂NaO₃
Molecular Weight:
363.41
Synonyms:
None
SMILES:
C(O)(=O)[C@]1(O)N2C=3[C@@]4([C@](CC)(C1)CCCN4CCC3C=5C2=CC=CC5)[H].[Na]
Tpsa:
65.7
Logp:
2.4833
H Acceptors:
4
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: C₂₀H₂₄N₂O₂
Molecular Weight: 324.42
Synonyms: None
SMILES: C(C)[C@]12[C@]3(C=4N(C=5C(C4CCN3CCC1)=CC=CC5)C(C(O)=O)C2)[H]
Tpsa: 45.47
Logp: 3.7601
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:
C₂₀H₂₄N₂O₂
Molecular Weight:
324.42
Synonyms:
None
SMILES:
C(C)[C@]12[C@]3(C=4N(C=5C(C4CCN3CCC1)=CC=CC5)C(C(O)=O)C2)[H]
Tpsa:
45.47
Logp:
3.7601
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: C₃₇H₄₆N₂O₄S
Molecular Weight: 614.84
Synonyms: None
SMILES: C(S(=O)(=O)O)[C@@]12C(C)(C)[C@@](CC1=O)(CC2)[H].C([C@@H]1[C@H](NCC2=CC=CC=C2)C3CCN1CC3)(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa: 86.71
Logp: 6.3407
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₇H₄₆N₂O₄S
Molecular Weight:
614.84
Synonyms:
None
SMILES:
C(S(=O)(=O)O)[C@@]12C(C)(C)[C@@](CC1=O)(CC2)[H].C([C@@H]1[C@H](NCC2=CC=CC=C2)C3CCN1CC3)(C4=CC=CC=C4)C5=CC=CC=C5
Tpsa:
86.71
Logp:
6.3407
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
8