Products for Research Use Only
RegisterLogin

APA Amoxicillin Amide

CAT: 0572-TRC-A634270-5MGSize: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A634270-5MGSize:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1789703-32-7
Synonyms
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[[(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-; (2S,5R,6R)-6-{(2S,5R,6R)-6-[(R)-2-Amino-2-(4-hydroxyphenyl)acetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamido}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic Acid; N-(Penicillan-6-yl) Amoxicillinamide; Amoxicillin RC L (USP)
Hazard Statement
May cause allergy or asthma symptoms or breathing difficulties if inhaled
Smiles
CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H]3N4[C@H](SC3(C)C)[C@H](NC(=O)[C@H](N)c5ccc(O)cc5)C4=O)C(=O)N2[C@H]1C(=O)O
Molecular Formula
C24 H29 N5 O7 S2
Molecular Weight
563.65
InChI
InChI=1S/C24H29N5O7S2/c1-23(2)14(17(32)27-13-19(34)29-15(22(35)36)24(3,4)38-21(13)29)28-18(33)12(20(28)37-23)26-16(31)11(25)9-5-7-10(30)8-6-9/h5-8,11-15,20-21,30H,25H2,1-4H3,(H,26,31)(H,27,32)(H,35,36)/t11-,12-,13-,14+,15+,20-,21-/m1/s1
Additionnal Information
IUPAC name: (2S,5R,6R)-6-[[(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Shipping Conditions
Dry Pack
Storage Conditions
-20°C

Chemical Information

N-(Penicillan-6-yl) amoxicillinamide
CAS Number1789703-32-7
PubChem CID76958655
IUPAC Name(2S,5R,6R)-6-[[(2S,5R,6R)-6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Molecular FormulaC24H29N5O7S2
Molecular Weight563.7
XLogP-2.1
Topological Polar Surface Area233
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity1080
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=C(C=C3)O)N)C(=O)N[C@H]4[C@@H]5N(C4=O)[C@H](C(S5)(C)C)C(=O)O)C
InChI
InChI=1S/C24H29N5O7S2/c1-23(2)14(17(32)27-13-19(34)29-15(22(35)36)24(3,4)38-21(13)29)28-18(33)12(20(28)37-23)26-16(31)11(25)9-5-7-10(30)8-6-9/h5-8,11-15,20-21,30H,25H2,1-4H3,(H,26,31)(H,27,32)(H,35,36)/t11-,12-,13-,14+,15+,20-,21-/m1/s1
InChIKey
VUPFQJZTIWDYHG-SHJTWVOLSA-N
Chemical Structure
2D Structure
2D structure of N-(Penicillan-6-yl) amoxicillinamide
CAS: 1789703-32-7
CID: 76958655
Formula: C24H29N5O7S2
MW: 563.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight563.7
XLogP3-2.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass563.15084063
Monoisotopic Mass563.15084063
Topological Polar Surface Area233 Ų
Heavy Atom Count38
Formal Charge0
Complexity1080
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-A634528-1GAmoxicillin
TRC-A634528-250MGAmoxicillin
TRC-A634237-1MGAmoxicillin-13C6
TRC-A634237-10MGAmoxicillin-13C6
TRC-A634225-10MGL-Amoxicillin
TRC-A634234-5MGAmoxicillin Diketopiperazine
TRC-A634234-50MGAmoxicillin Diketopiperazine
TRC-A634235-5GAmoxicillin Trihydrate
TRC-A634235-10GAmoxicillin Trihydrate
TRC-A634225-100MGL-Amoxicillin

Alternative Products

CatalogName
sc-480397APA amoxicillin amide
sc-480399APA amoxicillin amide-d4
AA182611-01Amoxicillin

Popular Products