CAS RN: 73319-13-8
3-Desacetyl Vecuronium
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260226 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS73319-13-8
- Purity/Analytical Methods: >99.0%
73319-13-8 / [(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
Basic Information
CAS
73319-13-8
Multi CAS
Yes
Molecular Formula
BC32H55O3Rn2
Molecular Weight
595.700000
Exact Mass
594.339610
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
Computed Properties
Structural Parameters
Heavy atom count
38
Fraction Csp3
0.97
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
146.82
TPSA
49.77
LogP / Solubility
WLOGP
2.4
MLOGP
2.16
XLogP3
2.4
Consensus LogP
2.32
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
Customers Also Viewed
-
3,17-bis-deacetylvecuronium
- CAS RN: 73319-30-9
- Product Code: starshine_CAS73319-30-9
- Purity/Analytical method: >99.0%
-
2-[(1R)-2-HYDROXY-1-METHYLETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE
- CAS RN: 73323-91-8
- Product Code: SSC-182794
-
-
-
5H-Pyrido[4,3-b]carbazole-5,11(6H)-dione
- CAS RN: 73326-98-4
- Product Code: starshine_CAS73326-98-4
- Purity/Analytical method: >99.0%
-
PIPERAZIN-1-YL-PYRROLIDIN-1-YL-METHANONE
- CAS RN: 73331-93-8
- Product Code: starshine_CAS73331-93-8
- Purity/Analytical method: >99.0%
![CAS 73323-91-8 2-[(1R)-2-HYDROXY-1-METHYLETHYL]-1H-ISOINDOLE-1,3(2H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73323-91-8.gif)
![CAS 73326-98-4 5H-Pyrido[4,3-b]carbazole-5,11(6H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/73326-98-4.gif)
