Products for Research Use Only
RegisterLogin

Amoxicillin Trimer Impurity

CAT: 1596-AR-A03284-02Size: 100 UnitsDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1596-AR-A03284-02Size:100 Units
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
174391-69-6
Synonyms
(2R,2'R,4S,4'S) -2,2'- ((1R,4R,7R,10R,13R) -1-amino-14- (((2S,5R,6R) -2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptan-6-yl) amino) -1,7,13-tris (4-hydroxyphenyl) -2,5,8,11,14-pentaoxo-3,6,9,12-tetraazatetradecane-4,10-diyl) bis (5,5-dimethylthiazolidine-4-carboxylic acid) ; (2R) - (2R) -2- (4-Hydroxyphenyl) glycyl- (2R) -2-[ (2R,4S) -4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl- (2R) -2- (4-hydroxyphenyl) glycyl- (2R) -2-[ (2R,4S) -4-carboxy-5,5-dimethyl-2-thiazolidinyl]glycyl-N-[ (2S,5R,6R) -2-carboxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-6-yl]-2- (4-hydroxyphenyl) glycinamide
Molecular Formula
C48H57N9O15S3
Molecular Weight
1096.21
API Name
Amoxicillin

Chemical Information

(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS Number174391-69-6
PubChem CID131875037
IUPAC Name(2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC48H57N9O15S3
Molecular Weight1096.2
XLogP-5.6
Topological Polar Surface Area464
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count21
Rotatable Bond Count18
Heavy Atom Count75
Formal Charge0
Complexity2220
SMILES
CC1([C@@H](N[C@H](S1)[C@@H](C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@@H]([C@@H]3N[C@H](C(S3)(C)C)C(=O)O)C(=O)N[C@H](C4=CC=C(C=C4)O)C(=O)N[C@H]5[C@@H]6N(C5=O)[C@H](C(S6)(C)C)C(=O)O)NC(=O)[C@@H](C7=CC=C(C=C7)O)N)C(=O)O)C
InChI
InChI=1S/C48H57N9O15S3/c1-46(2)31(43(67)68)55-39(73-46)28(52-34(61)25(49)19-7-13-22(58)14-8-19)37(64)50-26(20-9-15-23(59)16-10-20)35(62)53-29(40-56-32(44(69)70)47(3,4)74-40)38(65)51-27(21-11-17-24(60)18-12-21)36(63)54-30-41(66)57-33(45(71)72)48(5,6)75-42(30)57/h7-18,25-33,39-40,42,55-56,58-60H,49H2,1-6H3,(H,50,64)(H,51,65)(H,52,61)(H,53,62)(H,54,63)(H,67,68)(H,69,70)(H,71,72)/t25-,26-,27-,28-,29-,30-,31+,32+,33+,39-,40-,42-/m1/s1
InChIKey
DJYKNXXZVZWXOK-SFUXYWTESA-N
Chemical Structure
2D Structure
2D structure of (2S,5R,6R)-6-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-[(2R,4S)-4-carboxy-5,5-dimethyl-1,3-thiazolidin-2-yl]acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CAS: 174391-69-6
CID: 131875037
Formula: C48H57N9O15S3
MW: 1096.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1096.2
XLogP3-5.6
Hydrogen Bond Donor Count14
Hydrogen Bond Acceptor Count21
Rotatable Bond Count18
Exact Mass1095.31362567
Monoisotopic Mass1095.31362567
Topological Polar Surface Area464 Ų
Heavy Atom Count75
Formal Charge0
Complexity2220
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
AR-A08100-01N-Nitroso Amoxicillin Impurity J Trimer
AR-A04633-01Amoxicillin Open Ring Trimer Impurity (mix. of diastereomers) (90%)
AR-A04895-01Amoxicillin Trimer Closed (Mixture of Diastereomers)
AR-A06443-01Amoxicillin Impurity 14
AR-A06442-01Amoxicillin Impurity 13
AR-A02096-01Amoxicillin Impurity 2
AR-A09999-01Amoxicillin Impurity M
AR-A04898-01Amoxicillin Impurity S
AR-A03266-01Amoxicillin Sulfoxide Impurity
AR-A06437-01Amoxicillin Impurity 9

Alternative Products

CatalogName
RM-A132454-01Amoxicillin Trimer Impurity
TRC-A457810-25MGAmoxicillin Closed-loop Trimer
sc-479593Amoxicillin Trimer Trisodium Salt
441459-01Amoxicillin Trimer Trisodium Salt (>90%)
TRC-A634505-0.5MGAmoxicillin Trimer Sodium Salt (>90%)
RM-A132455-01Amoxicillin Impurity 28 (Amoxicillin Dimer)
HY-Z3790-01Amoxicillin impurity 2
RM-A133414-01Amoxicillin Impurity 86
RM-A133413-01Amoxicillin Impurity 85
RM-A133412-01Amoxicillin Impurity 84

Popular Products