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AMG410 10mg

CAT: 0628-A24529-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A24529-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3040175-17-2

Chemical Information

(16S)-36-Chloro-28-fluoro-22-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-31H-7,9-dioxa-1(4,6)-oxazepana-2(4,7)-pyrido[4,3-d]pyrimidina-3(4,5)-indazolacyclononaphan-8-one
CAS Number3040175-17-2
PubChem CID172142898
IUPAC Name(26S)-18-chloro-32-fluoro-4-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-23,25,28-trioxa-1,3,5,9,14,15-hexazahexacyclo[24.4.1.16,10.02,7.011,19.012,16]dotriaconta-2,4,6(32),7,9,11,13,16,18-nonaen-24-one
Molecular FormulaC31H32ClF2N7O5
Molecular Weight656.1
XLogP4.3
Topological Polar Surface Area128
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Heavy Atom Count46
Formal Charge0
Complexity1110
SMILES
C1CC2=C(C=C3C(=C2C4=NC=C5C(=C4F)N=C(N=C5N6CCOC[C@H](C6)OC(=O)OC1)OC[C@@]78CCCN7C[C@@H](C8)F)C=NN3)Cl
InChI
InChI=1S/C31H32ClF2N7O5/c32-22-9-23-20(12-36-39-23)24-19(22)3-1-7-44-30(42)46-18-14-40(6-8-43-15-18)28-21-11-35-27(24)25(34)26(21)37-29(38-28)45-16-31-4-2-5-41(31)13-17(33)10-31/h9,11-12,17-18H,1-8,10,13-16H2,(H,36,39)/t17-,18+,31+/m1/s1
InChIKey
FRRZEUVDJRQIGA-QSDPREHASA-N
Chemical Structure
2D Structure
2D structure of (16S)-36-Chloro-28-fluoro-22-(((2R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)-31H-7,9-dioxa-1(4,6)-oxazepana-2(4,7)-pyrido[4,3-d]pyrimidina-3(4,5)-indazolacyclononaphan-8-one
CAS: 3040175-17-2
CID: 172142898
Formula: C31H32ClF2N7O5
MW: 656.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.1
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count3
Exact Mass655.2121512
Monoisotopic Mass655.2121512
Topological Polar Surface Area128 Ų
Heavy Atom Count46
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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