U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C58H74N6O31S3
Molecular Weight 1447.425
Optical Activity UNSPECIFIED
Defined Stereocenters 15 / 15
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RIVIPANSEL

SMILES

[H][C@@]8(O[C@@H]1[C@H](C[C@H](C[C@H]1O[C@]2([H])O[C@H](CO)[C@H](O)[C@H](O[C@@H](CC3CCCCC3)C(O)=O)[C@H]2OC(=O)C4=CC=CC=C4)C(=O)NCCNC(=O)COCCOCC(=O)NC5=CC(=CC6=CC(=CC(=C56)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)NC(=O)C7=CC(=O)NC(=O)N7)O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]8O

InChI

InChIKey=VXBNTHRZPJLRSS-PTCSXESPSA-N
InChI=1S/C58H74N6O31S3/c1-27-45(69)47(71)48(72)56(90-27)95-49-35(62-53(74)36-23-41(66)64-58(78)63-36)19-31(20-37(49)92-57-51(94-55(77)29-10-6-3-7-11-29)50(46(70)39(24-65)93-57)91-38(54(75)76)16-28-8-4-2-5-9-28)52(73)60-13-12-59-42(67)25-88-14-15-89-26-43(68)61-34-21-32(96(79,80)81)17-30-18-33(97(82,83)84)22-40(44(30)34)98(85,86)87/h3,6-7,10-11,17-18,21-23,27-28,31,35,37-39,45-51,56-57,65,69-72H,2,4-5,8-9,12-16,19-20,24-26H2,1H3,(H,59,67)(H,60,73)(H,61,68)(H,62,74)(H,75,76)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H2,63,64,66,78)/t27-,31+,35-,37+,38-,39+,45+,46-,47+,48-,49+,50-,51+,56-,57+/m0/s1

HIDE SMILES / InChI

Molecular Formula C58H74N6O31S3
Molecular Weight 1447.425
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 15 / 15
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:57:14 UTC 2023
Edited
by admin
on Sat Dec 16 07:57:14 UTC 2023
Record UNII
4B115V09LB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RIVIPANSEL
INN   USAN   WHO-DD  
USAN   INN  
Official Name English
rivipansel [INN]
Common Name English
Rivipansel [WHO-DD]
Common Name English
RIVIPANSEL [USAN]
Common Name English
PF-06460031
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 274608
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
EU-Orphan Drug EU/3/13/1184
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
NCI_THESAURUS C78275
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID90239140
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
EVMPD
SUB179891
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
INN
9776
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
DRUG BANK
DB12778
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
FDA UNII
4B115V09LB
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
CAS
927881-99-0
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
USAN
ZZ-162
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL2364630
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
SMS_ID
100000166027
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
NCI_THESAURUS
C102786
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
PUBCHEM
44232546
Created by admin on Sat Dec 16 07:57:14 UTC 2023 , Edited by admin on Sat Dec 16 07:57:14 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
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ACTIVE MOIETY