RIMEGEPANT SULFATE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C28H28F2N6O3.H2O4S
Molecular Weight	1167.193
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RIMEGEPANT SULFATE ANHYDROUS

Structure Search

SMILES

OS(O)(=O)=O.N[C@H]1[C@@H](CC[C@@H](OC(=O)N2CCC(CC2)N3C(=O)NC4=C3C=CC=N4)C5=C1C=CC=N5)C6=CC=CC(F)=C6F.N[C@H]7[C@@H](CC[C@@H](OC(=O)N8CCC(CC8)N9C(=O)NC%10=C9C=CC=N%10)C%11=C7C=CC=N%11)C%12=CC=CC(F)=C%12F

InChI

InChIKey=PQYZLKPVYCNNME-WLKALFMDSA-N

InChI=1S/2C28H28F2N6O3.H2O4S/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)/t2*18-,22+,24-;/m00./s1

HIDE SMILES / InChI

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

Molecular Formula	C28H28F2N6O3
Molecular Weight	534.5571
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:37:38 UTC 2023` Edited by `admin` on `Fri Dec 15 15:37:38 UTC 2023`
Record UNII	687X3KJY2O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RIMEGEPANT SULFATE ANHYDROUS

Common Name

English

DI((5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL 4-(2-OXO-2,3-DIHYDRO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)PIPERIDINE-1-CARBOXYLATE), MONOSULFATE

Systematic Name

English

1-PIPERIDINECARBOXYLIC ACID, 4-(2,3-DIHYDRO-2-OXO-1H-IMIDAZO(4,5-B)PYRIDIN-1-YL)-, (5S,6S,9R)-5-AMINO-6-(2,3-DIFLUOROPHENYL)-6,7,8,9-TETRAHYDRO-5H-CYCLOHEPTA(B)PYRIDIN-9-YL ESTER, SULFATE (2:1)

Systematic Name

English

Code System Code Type Description

SMS_ID

300000023333

Created by admin on Fri Dec 15 15:37:38 UTC 2023 , Edited by admin on Fri Dec 15 15:37:38 UTC 2023

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FDA UNII

687X3KJY2O

Created by admin on Fri Dec 15 15:37:38 UTC 2023 , Edited by admin on Fri Dec 15 15:37:38 UTC 2023

PRIMARY

PUBCHEM