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Losartan N2-Glucuronide (90%)

CAT: 0572-TRC-L470495-1MGSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L470495-1MGSize:1 mg
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CAS Number
138584-35-7
Hazard Statement
May cause an allergic skin reaction
Smiles
CCCCc1nc(Cl)c(CO)n1Cc2ccc(cc2)c3ccccc3c4nnn(n4)C5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(=O)O
Molecular Formula
C28 H31 Cl N6 O7
Molecular Weight
599.03
InChI
InChI=1S/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-33-35(32-26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/t21-,22-,23+,24-,27?/m0/s1
Additionnal Information
IUPAC name: (2S,3S,4S,5R)-6-[5-[2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Losartan N2-glucuronide

Losartan n2-glucuronide is a carbohydrate acid derivative.

CAS Number138584-35-7
PubChem CID49849772
IUPAC Name(2S,3S,4S,5R,6R)-6-[5-[2-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]phenyl]tetrazol-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
Molecular FormulaC28H31ClN6O7
Molecular Weight599.0
XLogP3
Topological Polar Surface Area189
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity888
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN(N=N4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CO)Cl
InChI
InChI=1S/C28H31ClN6O7/c1-2-3-8-20-30-25(29)19(14-36)34(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)26-31-33-35(32-26)27-23(39)21(37)22(38)24(42-27)28(40)41/h4-7,9-12,21-24,27,36-39H,2-3,8,13-14H2,1H3,(H,40,41)/t21-,22-,23+,24-,27+/m0/s1
InChIKey
NGFMQMUIOUSHGR-RTCYWULBSA-N
Chemical Structure
2D Structure
2D structure of Losartan N2-glucuronide
CAS: 138584-35-7
CID: 49849772
Formula: C28H31ClN6O7
MW: 599.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight599.0
XLogP33
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass598.1942750
Monoisotopic Mass598.1942750
Topological Polar Surface Area189 Ų
Heavy Atom Count42
Formal Charge0
Complexity888
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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