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SG3199

CAT: 0926-FS181772-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FS181772-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1595275-71-0
Smiles
CC1=CN2C (C1) C=NC3=CC (=C (C=C3C2=O) OC) OCCCCCOC4=C (C=C5C (=C4) N=CC6CC (=CN6C5=O) C) OC
Molecular Formula
C33H36N4O6
Molecular Weight
584.7 g/mol
Controlled
No

Chemical Information

(11aS,11a'S)-8,8'-(Pentane-1,5-diylbis(oxy))bis(7-methoxy-2-methyl-1,11a-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one)
CAS Number1595275-71-0
PubChem CID90132565
IUPAC Name(6aS)-3-[5-[[(6aS)-2-methoxy-8-methyl-11-oxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-8-methyl-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
Molecular FormulaC33H36N4O6
Molecular Weight584.7
XLogP2.8
Topological Polar Surface Area102
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1080
SMILES
CC1=CN2[C@@H](C1)C=NC3=CC(=C(C=C3C2=O)OC)OCCCCCOC4=C(C=C5C(=C4)N=C[C@@H]6CC(=CN6C5=O)C)OC
InChI
InChI=1S/C33H36N4O6/c1-20-10-22-16-34-26-14-30(28(40-3)12-24(26)32(38)36(22)18-20)42-8-6-5-7-9-43-31-15-27-25(13-29(31)41-4)33(39)37-19-21(2)11-23(37)17-35-27/h12-19,22-23H,5-11H2,1-4H3/t22-,23-/m0/s1
InChIKey
YMTZZJOPSATRTO-GOTSBHOMSA-N
Chemical Structure
2D Structure
2D structure of (11aS,11a'S)-8,8'-(Pentane-1,5-diylbis(oxy))bis(7-methoxy-2-methyl-1,11a-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one)
CAS: 1595275-71-0
CID: 90132565
Formula: C33H36N4O6
MW: 584.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight584.7
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass584.26348488
Monoisotopic Mass584.26348488
Topological Polar Surface Area102 Ų
Heavy Atom Count43
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T34628SG3199
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HY-176807DBCO-HS-PEG2-VA-PABC-SG3199
T87879-01BCN-HS-PEG2-VA-PABC-SG3199
CABT-L3116Rabbit Anti-PBD SG3199 polyclonal antibody
T87853-01Mal-amido-PEG8-Val-Ala-PAB-SG3199
CABT-L3117Mouse Anti-PBD SG3199 monoclonal antibody, clone 8I7I0B7

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