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Acyclovir mixture with hydrocortisone

CAT: 0931-T29628-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29628-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
439279-66-0
Target
Others
Related Pathways
Others
Bioactivity
Acyclovir mixture with hydrocortisone is used for Herpes simplex labialis.
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)CC4)([C@@H](O)C1)[H])[H])(CC[C@@]2(C(CO)=O)O)[H].C(OCCO)N1C2=C(N=C1)C(=O)N=C(N)N2
Molecular Formula
C29H41N5O8
Molecular Weight
587.66
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Acyclovir; hydrocortisone

See also: Acyclovir (has component).

CAS Number439279-66-0
PubChem CID135431021
IUPAC Name2-amino-9-(2-hydroxyethoxymethyl)-1H-purin-6-one;(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC29H41N5O8
Molecular Weight587.7
Topological Polar Surface Area210
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity992
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O.C1=NC2=C(N1COCCO)N=C(NC2=O)N
InChI
InChI=1S/C21H30O5.C8H11N5O3/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19;9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3;3,14H,1-2,4H2,(H3,9,11,12,15)/t14-,15-,16-,18+,19-,20-,21-;/m0./s1
InChIKey
MDCGTBRYRLWFJI-WDCKKOMHSA-N
Chemical Structure
2D Structure
2D structure of Acyclovir; hydrocortisone
CAS: 439279-66-0
CID: 135431021
Formula: C29H41N5O8
MW: 587.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight587.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass587.29551328
Monoisotopic Mass587.29551328
Topological Polar Surface Area210 Ų
Heavy Atom Count42
Formal Charge0
Complexity992
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes