CS-0454112
(3AS,4R,9S,10aS)-4-((carbamoyloxy)methyl)-10,10-dihydroxy-2,6-diiminooctahydro-1H,8H-pyrrolo[1,2-c]purin-9-yl hydrogen sulfate
Manufacturer: ChemScene
CAS Number: 60537-65-7
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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
C₁₀H₁₇N₇O₈S
Molecular Weight
395.35
Synonyms
Gonyautoxin III
SMILES
NC(OC[C@@H]1NC(N2C[C@@H](C([C@@]32[C@H]1NC(N3)=N)(O)O)OS(=O)(O)=O)=N)=O
Tpsa
243.41
Logp
-4.63476
H Acceptors
9
H Donors
9
Rotatable Bonds
4
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/toxic.svg
Pictograms
Signal Word
Danger
UN Number
2811
Class
6.1
Packing Group
Ⅲ
Hazard Statements
Precautionary Statements
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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: C₁₀H₁₇N₇O₈S
Molecular Weight: 395.35
Synonyms: Gonyautoxin III
SMILES: NC(OC[C@@H]1NC(N2C[C@@H](C([C@@]32[C@H]1NC(N3)=N)(O)O)OS(=O)(O)=O)=N)=O
Tpsa: 243.41
Logp: -4.63476
H Acceptors: 9
H Donors: 9
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₇N₇O₈S
Molecular Weight:
395.35
Synonyms:
Gonyautoxin III
SMILES:
NC(OC[C@@H]1NC(N2C[C@@H](C([C@@]32[C@H]1NC(N3)=N)(O)O)OS(=O)(O)=O)=N)=O
Tpsa:
243.41
Logp:
-4.63476
H Acceptors:
9
H Donors:
9
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₈BrNO₃
Molecular Weight: 246.06
Synonyms: 3-Amino-5-bromo-2-methoxybenzoicacid
SMILES: COC1=C(C=C(C=C1N)Br)C(=O)O
Tpsa: 72.55
Logp: 1.7381
H Acceptors: 3
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:
C₈H₈BrNO₃
Molecular Weight:
246.06
Synonyms:
3-Amino-5-bromo-2-methoxybenzoicacid
SMILES:
COC1=C(C=C(C=C1N)Br)C(=O)O
Tpsa:
72.55
Logp:
1.7381
H Acceptors:
3
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: C₉H₁₁ClN₂O₂S
Molecular Weight: 246.71
Synonyms: N-((2-Chloropyridin-3-yl)sulfonyl)pyrrolidine
SMILES: C1CCN(C1)S(=O)(=O)C2=C(Cl)N=CC=C2
Tpsa: 50.27
Logp: 1.5195
H Acceptors: 3
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:
C₉H₁₁ClN₂O₂S
Molecular Weight:
246.71
Synonyms:
N-((2-Chloropyridin-3-yl)sulfonyl)pyrrolidine
SMILES:
C1CCN(C1)S(=O)(=O)C2=C(Cl)N=CC=C2
Tpsa:
50.27
Logp:
1.5195
H Acceptors:
3
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: C₁₀H₁₂ClN
Molecular Weight: 181.66
Synonyms: None
SMILES: C1=C(C=CC(=C1)Cl)CC2CNC2
Tpsa: 12.03
Logp: 2.1019
H Acceptors: 1
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:
C₁₀H₁₂ClN
Molecular Weight:
181.66
Synonyms:
None
SMILES:
C1=C(C=CC(=C1)Cl)CC2CNC2
Tpsa:
12.03
Logp:
2.1019
H Acceptors:
1
H Donors:
1
Rotatable Bonds:
2