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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21IN6O2S.3ClH
Molecular Weight 621.751
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ZELAVESPIB TRIHYDROCHLORIDE

SMILES

Cl.Cl.Cl.CC(C)NCCCN1C(SC2=C(I)C=C3OCOC3=C2)=NC4=C(N)N=CN=C14

InChI

InChIKey=KMHRRRIFDIMTLR-UHFFFAOYSA-N
InChI=1S/C18H21IN6O2S.3ClH/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13;;;/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23);3*1H

HIDE SMILES / InChI

Molecular Formula C18H21IN6O2S
Molecular Weight 512.368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
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 Sat Dec 16 16:25:45 UTC 2023
Edited
by admin
on Sat Dec 16 16:25:45 UTC 2023
Record UNII
AV0IRM9HF5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZELAVESPIB TRIHYDROCHLORIDE
Common Name English
PU-H-71 TRIHYDROCHLORIDE
Common Name English
9H-PURINE-9-PROPANAMINE, 6-AMINO-8-((6-IODO-1,3-BENZODIOXOL-5-YL)THIO)-N-(1-METHYLETHYL)-, HYDROCHLORIDE (1:3)
Systematic Name English
Code System Code Type Description
CAS
2094036-90-3
Created by admin on Sat Dec 16 16:25:45 UTC 2023 , Edited by admin on Sat Dec 16 16:25:45 UTC 2023
NON-SPECIFIC STOICHIOMETRY
FDA UNII
AV0IRM9HF5
Created by admin on Sat Dec 16 16:25:45 UTC 2023 , Edited by admin on Sat Dec 16 16:25:45 UTC 2023
PRIMARY
PUBCHEM
91826484
Created by admin on Sat Dec 16 16:25:45 UTC 2023 , Edited by admin on Sat Dec 16 16:25:45 UTC 2023
PRIMARY
CAS
2108826-10-2
Created by admin on Sat Dec 16 16:25:45 UTC 2023 , Edited by admin on Sat Dec 16 16:25:45 UTC 2023
PRIMARY
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