Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C32H38N7O4S.Ca.2H2O |
| Molecular Weight | 1309.616 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.[Ca++].CC1(C)C[C@H]2CN1C3=NC(=CC=C3C(=O)[N-]S(=O)(=O)C4=NC(NCCC2)=CC=C4)N5C=CC(OCCC6C7(CC7)C68CC8)=N5.CC9(C)C[C@H]%10CN9C%11=NC(=CC=C%11C(=O)[N-]S(=O)(=O)C%12=NC(NCCC%10)=CC=C%12)N%13C=CC(OCCC%14C%15(CC%15)C%14%16CC%16)=N%13
InChI
InChIKey=LGAZMPFQTXKMGA-QJOPACOMSA-L
InChI=1S/2C32H39N7O4S.Ca.2H2O/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);;2*1H2/q;;+2;;/p-2/t2*21-;;;/m00.../s1
| Molecular Formula | C32H38N7O4S |
| Molecular Weight | 616.754 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 03:36:18 GMT 2025
by
admin
on
Wed Apr 02 03:36:18 GMT 2025
|
| Record UNII |
QB16J1T2PC
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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QB16J1T2PC
Created by
admin on Wed Apr 02 03:36:18 GMT 2025 , Edited by admin on Wed Apr 02 03:36:18 GMT 2025
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PRIMARY | |||
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2607828-37-3
Created by
admin on Wed Apr 02 03:36:18 GMT 2025 , Edited by admin on Wed Apr 02 03:36:18 GMT 2025
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NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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