Vanzacaftor Calcium

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C32H38N7O4S.Ca
Molecular Weight	1273.585
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].CC1(C)C[C@H]2CN1C3=NC(=CC=C3C(=O)[N-]S(=O)(=O)C4=CC=CC(NCCC2)=N4)N5C=CC(OCCC6C7(CC7)C68CC8)=N5.CC9(C)C[C@H]%10CN9C%11=NC(=CC=C%11C(=O)[N-]S(=O)(=O)C%12=CC=CC(NCCC%10)=N%12)N%13C=CC(OCCC%14C%15(CC%15)C%14%16CC%16)=N%13

InChI

InChIKey=ANPVHAQPVLJLSP-HRQBZJEISA-L

InChI=1S/2C32H39N7O4S.Ca/c2*1-30(2)19-21-5-4-16-33-24-6-3-7-27(34-24)44(41,42)37-29(40)22-8-9-25(35-28(22)38(30)20-21)39-17-10-26(36-39)43-18-11-23-31(12-13-31)32(23)14-15-32;/h2*3,6-10,17,21,23H,4-5,11-16,18-20H2,1-2H3,(H2,33,34,37,40);/q;;+2/p-2/t2*21-;/m00./s1

HIDE SMILES / InChI

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C32H39N7O4S
Molecular Weight	617.762
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:40:30 GMT 2023` Edited by `admin` on `Sat Dec 16 15:40:30 GMT 2023`
Record UNII	SXG3YFW4BW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Vanzacaftor Calcium

Official Name

English

VANZACAFTOR CALCIUM [USAN]

Common Name

English

VX-121 CALCIUM SALT

Code

English

VANZACAFTOR HEMICALCIUM

Common Name

English

13H-17,20-Methano-8,12-nitrilo-12H-pyrido[3,2-d][1,2,6,13]thiatriazacyclooctadecin-5(6H)-one, 2-[3-(2-dispiro[2.0.2.1]hept-7-ylethoxy)-1H-pyrazol-1-yl]-14,15,16,17,18,19-hexahydro-19,19-dimethyl-, 7,7-dioxide, calcium salt (2:1), (17S)-

Systematic Name

English

(14S)-8-(3-(2-(DISPIRO(2.0.24.13)HEPTAN-7-YL)ETHOXY)-1H-PYRAZOL-1-YL)-12,12-DIMETHYL-2.LAMDA.6-THIA-3,9,11,18,23-PENTAAZATETRACYCLO( 17.3.1.111,14.05,10)TETRACOSA-1(22),5,7,9,19(23),20-HEXAENE-2,2,4-TRIONE HEMI-CALCIUM SALT

Systematic Name

English

Code System Code Type Description

CAS

2607828-34-0

Created by admin on Sat Dec 16 15:40:30 GMT 2023 , Edited by admin on Sat Dec 16 15:40:30 GMT 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

SXG3YFW4BW

Created by admin on Sat Dec 16 15:40:30 GMT 2023 , Edited by admin on Sat Dec 16 15:40:30 GMT 2023

PRIMARY

USAN

LM-136

Created by admin on Sat Dec 16 15:40:30 GMT 2023 , Edited by admin on Sat Dec 16 15:40:30 GMT 2023

PRIMARY

CAS

2374124-50-0

Created by admin on Sat Dec 16 15:40:30 GMT 2023 , Edited by admin on Sat Dec 16 15:40:30 GMT 2023

PRIMARY