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NBI 35965 methanesulfonate

CAT: 0931-T23058-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T23058-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
603151-83-3
Target
Others, CRFR
Related Pathways
GPCR/G Protein, Others
Bioactivity
NBI 35965 methanesulfonate is a CRF1 antagonist.
Smiles
CS(O)(=O)=O.CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(N1CC1CC1)c23
Molecular Formula
C22H26Cl2N4O3S
Molecular Weight
497.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nbi-35965
CAS Number603151-83-3
PubChem CID11713006
IUPAC Name(10S)-9-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-10-ethyl-6-methyl-1,2,5,9-tetrazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methanesulfonic acid
Molecular FormulaC22H26Cl2N4O3S
Molecular Weight497.4
Topological Polar Surface Area96.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity637
SMILES
CC[C@H]1CN2C3=C(N1CC4CC4)C=C(N=C3C(=N2)C5=C(C=C(C=C5)Cl)Cl)C.CS(=O)(=O)O
InChI
InChI=1S/C21H22Cl2N4.CH4O3S/c1-3-15-11-27-21-18(26(15)10-13-4-5-13)8-12(2)24-20(21)19(25-27)16-7-6-14(22)9-17(16)23;1-5(2,3)4/h6-9,13,15H,3-5,10-11H2,1-2H3;1H3,(H,2,3,4)/t15-;/m0./s1
InChIKey
ARENHXRYYRAMQA-RSAXXLAASA-N
Chemical Structure
2D Structure
2D structure of Nbi-35965
CAS: 603151-83-3
CID: 11713006
Formula: C22H26Cl2N4O3S
MW: 497.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight497.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass496.1102673
Monoisotopic Mass496.1102673
Topological Polar Surface Area96.7 Ų
Heavy Atom Count32
Formal Charge0
Complexity637
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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