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809276

Tetrahydrocortisone-2,2,3,4,4-d5 solution

100 μg/mL in methanol, ≥98 atom % D, ≥98% (CP)

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About This Item

Empirical Formula (Hill Notation):
C21D5H27O5
Molecular Weight:
369.51
MDL number:
MFCD34567193
UNSPSC Code:
12352211
PubChem Substance ID:
329769152
EC Number:
200-659-6
NACRES:
NA.12
Isotopic purity:
≥98 atom % D
Assay:
≥98% (CP)
Mass shift:
M+5
Form:
liquid
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isotopic purity

≥98 atom % D

Quality Segment

200

assay

≥98% (CP)

form

liquid

concentration

100 μg/mL in methanol

technique(s)

mass spectrometry (MS): suitable

mass shift

M+5

storage temp.

−20°C

SMILES string

OCC([C@@]1(O)CCC([C@]1(C)C2)C3CC[C@]4([H])C([2H])([2H])[C@]([2H])(O)C([2H])([2H])C[C@]4(C)C3C2=O)=O

InChI

1S/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,18,22-23,26H,3-11H2,1-2H3/t12-,13-,14?,15?,18?,19+,20+,21+/m1/s1/i5D2,9D2,13D

InChI key

SYGWGHVTLUBCEM-GDDQKZIGSA-N

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Flam. Liq. 2 - STOT SE 1

target_organs

Eyes

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

49.5 °F

flash_point_c

9.7 °C

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