Products for Research Use Only
RegisterLogin

NAAD sodium salt

CAT: 0127-BUP20443-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-BUP20443-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
111127-62-9
Synonyms
Deamido Nad Sodium Salt , NAAD Na, NaAD , NAAD Na salt
Purity
=98%
Smiles
C(OCCNC(C(NC(OC(C)(C)C)=O)CCSC)=O)(=O)C=1C(C(C(OCC)=O)=C(C)NC1C)C2=C(C(F)(F)F)C=CC=C2

Chemical Information

Sadopine

high-affinity, high-specific-activity probe for the 1,4-dihydropyridine receptors

CAS Number111127-62-9
PubChem CID3082607
IUPAC Name3-O-ethyl 5-O-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethyl] 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC30H40F3N3O7S
Molecular Weight643.7
XLogP4.9
Topological Polar Surface Area157
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Heavy Atom Count44
Formal Charge0
Complexity1120
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C)C
InChI
InChI=1S/C30H40F3N3O7S/c1-8-41-26(38)22-17(2)35-18(3)23(24(22)19-11-9-10-12-20(19)30(31,32)33)27(39)42-15-14-34-25(37)21(13-16-44-7)36-28(40)43-29(4,5)6/h9-12,21,24,35H,8,13-16H2,1-7H3,(H,34,37)(H,36,40)
InChIKey
IAGRRCQYHMPXJH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sadopine
CAS: 111127-62-9
CID: 3082607
Formula: C30H40F3N3O7S
MW: 643.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.7
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count16
Exact Mass643.25390628
Monoisotopic Mass643.25390628
Topological Polar Surface Area157 Ų
Heavy Atom Count44
Formal Charge0
Complexity1120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
BUP21844-01Fosmidomycin sodium salt
BUP18264Cefoperazone sodium salt
OR1004231-01Ceftriaxone Sodium Salt
OR1066666-01NADPH-sodium salt
BIN0394-01Novobiocin sodium salt
BI9905-01Coenzyme A, Sodium salt
BUP01771Durlobactam sodium salt
OR1026203Tenatoprazole Sodium Salt
BUP16438Methicillin sodium salt
BIN0112-01Nigericin sodium salt

Alternative Products

CatalogName
M28001-01NAAD sodium salt
HY-117029-01NAAD (sodium)
N1070Neridronate, Sodium Salt (Nerixia Sodium Salt)
47080913-5gPenicillin G sodium salt (Benzylpenicillin sodium salt)
MBS6034784-01Atorvastatin-d5, Sodium Salt (Lipitor-d5, Sodium Salt)
RM-I200308-01Irinotecan Acid Sodium Salt (Irinotecan Carboxylate Sodium Salt)
36257729-100gThioglycolic acid sodium salt (Mercaptoacetic acid sodium salt)
AR-G01127-01Ganglioside M1 Sodium Salt (GM1-Ganglioside Sodium Salt)
AR-C01935-01Cefotetan Impurity 1 Sodium Salt (Cefmetazole Sodium Salt)
A-17-100MGCoenzyme A, Sodium salt

Popular Products