RIMEGEPANT SULFATE

Search structure
Synonyms:
Status: Approved (2020)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1383NM3Q0H

Structure
InChI Key SOGUOEZRYKUOHR-CQZKMDJHSA-N
Smile N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O.O.O.O=S(=O)(O)O
InChI
InChI=1S/2C28H28F2N6O3.H2O4S.3H2O/c2*29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-5(2,3)4;;;/h2*1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);(H2,1,2,3,4);3*1H2/t2*18-,22+,24-;;;;/m00..../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C56H64F4N12O13S
Molecular Weight 1221.26
AlogP 4.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 119.13
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 39.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Calcitonin gene-related peptide type 1 receptor antagonist FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Migraine Disorders 4 D008881 FDA

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2364629
EPA CompTox DTXSID60160174
FDA SRS 1383NM3Q0H
PubChem 71586738
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