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Vecuronium Bromide EP Impurity C

CAT: 1596-AR-V06070-01Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-V06070-01Size:100 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
73319-13-8
Synonyms
1-[17β- (acetyloxy) -3α-hydroxy-2β- (piperidin-1-yl) -5α-androstan-16β-yl]-1-methylpiperidin-1-ium (as per EP) ; Vecuronium Bromide USP Related Compound F
Molecular Formula
C32H55N2O3. Br
Molecular Weight
515.8 : 79.9
API Name
Vecuronium Bromide

Chemical Information

Desacetylvecuronium bromide
CAS Number73319-13-8
PubChem CID11849103
IUPAC Name[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-3-hydroxy-10,13-dimethyl-16-(1-methylpiperidin-1-ium-1-yl)-2-piperidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate bromide
Molecular FormulaC32H55BrN2O3
Molecular Weight595.7
Topological Polar Surface Area49.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity851
SMILES
CC(=O)O[C@H]1[C@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCCCC5)C)C)[N+]6(CCCCC6)C.[Br-]
InChI
InChI=1S/C32H55N2O3.BrH/c1-22(35)37-30-28(34(4)17-9-6-10-18-34)20-26-24-12-11-23-19-29(36)27(33-15-7-5-8-16-33)21-32(23,3)25(24)13-14-31(26,30)2;/h23-30,36H,5-21H2,1-4H3;1H/q+1;/p-1/t23-,24+,25-,26-,27-,28-,29-,30-,31-,32-;/m0./s1
InChIKey
UPUCOGXSWOPTGS-FMCCZJBLSA-M
Chemical Structure
2D Structure
2D structure of Desacetylvecuronium bromide
CAS: 73319-13-8
CID: 11849103
Formula: C32H55BrN2O3
MW: 595.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight595.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass594.33961
Monoisotopic Mass594.33961
Topological Polar Surface Area49.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity851
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

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RM-V050307-01Vecuronium Bromide Impurity 7
RM-V050310-01Vecuronium Bromide Impurity 10
RM-V050308-01Vecuronium Bromide Impurity 8
RM-V050309-01Vecuronium Bromide Impurity 9
RM-V050311-01Vecuronium Bromide Impurity 11
RM-V050306-01Vecuronium Bromide EP Impurity F
RM-V050305-01Vecuronium Bromide EP Impurity E
RM-V050304-01Vecuronium Bromide EP Impurity D
RM-V050303-01Vecuronium Bromide EP Impurity C
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