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Details

Stereochemistry ACHIRAL
Molecular Formula 2C14H21N3O2S.H2O4S
Molecular Weight 688.879
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SUMATRIPTAN HEMISULFATE

SMILES

OS(O)(=O)=O.CNS(=O)(=O)CC1=CC=C2NC=C(CCN(C)C)C2=C1.CNS(=O)(=O)CC3=CC=C4NC=C(CCN(C)C)C4=C3

InChI

InChIKey=ZPBKNEYMSRHSSI-UHFFFAOYSA-N
InChI=1S/2C14H21N3O2S.H2O4S/c2*1-15-20(18,19)10-11-4-5-14-13(8-11)12(9-16-14)6-7-17(2)3;1-5(2,3)4/h2*4-5,8-9,15-16H,6-7,10H2,1-3H3;(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C14H21N3O2S
Molecular Weight 295.4
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:41 GMT 2023
Edited
by admin
on Fri Dec 15 15:33:41 GMT 2023
Record UNII
7T9PTJ824O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SUMATRIPTAN HEMISULFATE
Common Name English
SUMATRIPTAN HEMISULPHATE
Common Name English
1H-INDOLE-5-METHANESULFONAMIDE, 3-(2-(DIMETHYLAMINO)ETHYL)-N-METHYL-, SULFATE (2:1)
Systematic Name English
Sumatriptan sulfate [WHO-DD]
Common Name English
SUMATRIPTAN SULFATE
WHO-DD  
Common Name English
Code System Code Type Description
SMS_ID
100000088857
Created by admin on Fri Dec 15 15:33:41 GMT 2023 , Edited by admin on Fri Dec 15 15:33:41 GMT 2023
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CAS
143675-45-0
Created by admin on Fri Dec 15 15:33:41 GMT 2023 , Edited by admin on Fri Dec 15 15:33:41 GMT 2023
PRIMARY
FDA UNII
7T9PTJ824O
Created by admin on Fri Dec 15 15:33:41 GMT 2023 , Edited by admin on Fri Dec 15 15:33:41 GMT 2023
PRIMARY
PUBCHEM
71587515
Created by admin on Fri Dec 15 15:33:41 GMT 2023 , Edited by admin on Fri Dec 15 15:33:41 GMT 2023
PRIMARY
EVMPD
SUB23140
Created by admin on Fri Dec 15 15:33:41 GMT 2023 , Edited by admin on Fri Dec 15 15:33:41 GMT 2023
PRIMARY