CS-0018371
(S)-tert-Butyl (5-((tert-butoxycarbonyl)amino)-1-(6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-c]pyridazin-3-yl)-1H-1,2,4-triazol-3-yl)(7-(pyrrolidin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)carbamate
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
C₄₀H₅₀N₈O₄
Molecular Weight
706.88
Synonyms
None
SMILES
CC(C)(C)OC(N(C1=CC=C2C(CC[C@@H](N3CCCC3)CC2)=C1)C(N=C4NC(OC(C)(C)C)=O)=NN4C5=NN=C(C6=CC=CC=C6CCC7)C7=C5)=O
Tpsa
127.6
Logp
7.9764
H Acceptors
10
H Donors
1
Rotatable Bonds
5
Other Options
...
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SAFETY INFORMATION
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: C₄₀H₅₀N₈O₄
Molecular Weight: 706.88
Synonyms: None
SMILES: CC(C)(C)OC(N(C1=CC=C2C(CC[C@@H](N3CCCC3)CC2)=C1)C(N=C4NC(OC(C)(C)C)=O)=NN4C5=NN=C(C6=CC=CC=C6CCC7)C7=C5)=O
Tpsa: 127.6
Logp: 7.9764
H Acceptors: 10
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:
C₄₀H₅₀N₈O₄
Molecular Weight:
706.88
Synonyms:
None
SMILES:
CC(C)(C)OC(N(C1=CC=C2C(CC[C@@H](N3CCCC3)CC2)=C1)C(N=C4NC(OC(C)(C)C)=O)=NN4C5=NN=C(C6=CC=CC=C6CCC7)C7=C5)=O
Tpsa:
127.6
Logp:
7.9764
H Acceptors:
10
H Donors:
1
Rotatable Bonds:
5
Purity: 97%
MDL No: MFCD01469095
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₉H₁₉NO
Molecular Weight: 277.36
Synonyms: ML 133; ML-133; N-[(4-Methoxyphenyl)methyl]-1-naphthalenemethanamine
SMILES: COC1=CC=C(CNCC2=C3C=CC=CC3=CC=C2)C=C1
Tpsa: 21.26
Logp: 4.1382
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 5
Purity:
97%
MDL No:
MFCD01469095
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₉H₁₉NO
Molecular Weight:
277.36
Synonyms:
ML 133; ML-133; N-[(4-Methoxyphenyl)methyl]-1-naphthalenemethanamine
SMILES:
COC1=CC=C(CNCC2=C3C=CC=CC3=CC=C2)C=C1
Tpsa:
21.26
Logp:
4.1382
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: 4°C
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₆FNO₂
Molecular Weight: 167.14
Synonyms: None
SMILES: FC1=C(C(N)=O)C=C(C=O)C=C1
Tpsa: 60.16
Logp: 0.7371
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
4°C
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₆FNO₂
Molecular Weight:
167.14
Synonyms:
None
SMILES:
FC1=C(C(N)=O)C=C(C=O)C=C1
Tpsa:
60.16
Logp:
0.7371
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD07784009
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₂₀ClN₃O₃
Molecular Weight: 313.78
Synonyms: Ticalopride
SMILES: O=C(N[C@H]1[C@@H](OC)CNCC1)C2=CC(Cl)=C(N)C=C2OC
Tpsa: N/A
Logp: N/A
H Acceptors: N/A
H Donors: N/A
Rotatable Bonds: N/A
Purity:
98%
MDL No:
MFCD07784009
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₂₀ClN₃O₃
Molecular Weight:
313.78
Synonyms:
Ticalopride
SMILES:
O=C(N[C@H]1[C@@H](OC)CNCC1)C2=CC(Cl)=C(N)C=C2OC
Tpsa:
N/A
Logp:
N/A
H Acceptors:
N/A
H Donors:
N/A
Rotatable Bonds:
N/A