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CAS 103628-48-4 Sumatriptan Succinate molecular structure lightbox
CAS RN: 103628-48-4

Sumatriptan Succinate

  • Product code: SSC-005198
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 103628-48-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

103628-48-4 / butanedioic acid;1-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-N-methylmethanesulfonamide

SUMATRIPTAN SUCCINATE | Sumavel DosePro | Alsuma

Standard CAS: 103628-48-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103628-48-4
Multi CAS
Yes
Molecular Formula
C18H27N3O6S
Molecular Weight
413.500000
Exact Mass
413.162057
SMILES
CNS(=O)(=O)CC1=CC2=C(C=C1)NC=C2CCN(C)C.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C14H21N3O2S.C4H6O4/c1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;5-3(6)1-2-4(7)8/h4-5,8-9,15-16H,6-7,10H2,1-3H3;1-2H2,(H,5,6)(H,7,8)
InChIKey
PORMUFZNYQJOEI-UHFFFAOYSA-N
Synonyms
SUMATRIPTAN SUCCINATE Sumavel DosePro Alsuma Onzetra Xsail Imitrex Statdose

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
4
Molar refractivity
106.75
TPSA
139.8

LogP / Solubility

WLOGP
1.26
MLOGP
1.13
XLogP3
1.26
Consensus LogP
1.22
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.86
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Corrosive Health Hazard
Signal
Danger
GHS Hazard Statements
H318 (79.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H361 (13%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H412 (16.7%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P203, P264+P265, P273, P280, P305+P354+P338, P317, P318, P405, and P501

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